A0A3Q0KCJ7_SCHMA Loading...

SAP30-binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KCJ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 376 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.2Very low45.6Very low224 Ų224141.3 Ų141.3100%1.10380%0.798SS**  074.70-65.8-175.4-173.800110.3
2D44.5Very low45.6Very low127 Ų127134.2 Ų134.268%0.67978%0.78SS**  cis-150.9115.2-20.5-74.3-44.3000107.5
3I50.1Low45.6Very low131 Ų131135.8 Ų135.867%0.67278%0.775SS**  56.5141.1101.5-29.7138.3000116.4
4N49.9Very low45.7Very low152 Ų152140.5 Ų140.581%0.81378%0.777SS**  trans93.4129165.2-48.6-59.2000115
5G43.6Very low45.3Very low81 Ų81142.8 Ų142.884%0.83578%0.779SS**  cis117.1142.614.300000109.3
6G44.8Very low45.6Very low69 Ų69145.6 Ų145.671%0.71179%0.785SS**  cis-159.4161.21.800000108.4
7L42.6Very low45.6Very low153 Ų153143.5 Ų143.580%0.80178%0.779SS**  45.6119103.2-115.279.2000115.8
8F45.9Very low45.9Very low192 Ų192145.3 Ų145.384%0.84279%0.786SS**  -159.9141.6111.1-121.8-89.3000111.6
9N42.8Very low45.8Very low134 Ų134145.1 Ų145.172%0.71778%0.784SS**  trans-99.3162.5175.7-58.5-37.1000110
10E48.3Very low46.4Very low185 Ų185146.1 Ų146.186%0.86478%0.783SS**  trans174.2155.8144.8-100.4174.216600108.2
11S47Very low46.5Very low106 Ų106146.8 Ų146.874%0.74178%0.782SS**  cis177.2156.8-33.751.40000107.9
12G45.4Very low46.7Very low56 Ų56143.2 Ų143.258%0.57777%0.766SS**  trans106.8106.3177.100000111.8
13E46Very low46.8Very low155 Ų155143.2 Ų143.272%0.72477%0.773SS**  64.7134.269.3-55.2177.3173.200110.9
14Y46.8Very low46.8Very low202 Ų202140.9 Ų140.979%0.79277%0.773SS**  cis-147.6152.338.1-54.3-85.9000112.5
15E40Very low46.6Very low175 Ų175141 Ų14182%0.81877%0.772SS**  trans-75.1151.6166-68.9-176.8120.600112.1
16Q49.7Very low46.6Very low187 Ų187146.8 Ų146.887%0.87477%0.77SS**  trans-146.5119.7142.9-157.186.47400110.3
17T45Very low46.6Very low111 Ų111149.7 Ų149.768%0.68177%0.774SS**  trans-75.3141.3177.738.80000112.6
18I51.5Low47.4Very low175 Ų175147 Ų14790%0.89777%0.769SS**  trans-140.6126.8144.8-39.9175.9000108.3
19D44.7Very low47.6Very low142 Ų142146.9 Ų146.976%0.75977%0.771SS**  trans-102.5141.5179.9-177.714000108.5
20E56.4Low48.4Very low164 Ų164147.8 Ų147.877%0.76678%0.775SS**  trans177.9136.6144.2-103.8173.6175.200115.2
21Q49.5Very low48.5Very low162 Ų162146.6 Ų146.676%0.75777%0.77SS**  trans59.398.6157.1-101.785.177.900121.5
22I46.1Very low48.8Very low148 Ų148148.7 Ų148.776%0.75977%0.767SS**  trans-83.9159142.3-25.8178.9000108.3
23P47.2Very low48.8Very low128 Ų128152.3 Ų152.383%0.83178%0.779SS**  -144.5177.292.737.3-20000114.3
24A50.8Low48.7Very low82 Ų82156.3 Ų156.368%0.67879%0.787SS**  trans-124.9-163.8-159.900000114
25I44.8Very low48.7Very low155 Ų155153.7 Ų153.780%0.79579%0.792SS**  trans77114.7157.8-26.1-179.4000116.3
26Y44.1Very low49.3Very low202 Ų202150.6 Ų150.679%0.79279%0.787SS**  -173.9123.2101.9-152.5-111000113.4
27T43.2Very low49.2Very low129 Ų129148.4 Ų148.479%0.79179%0.786SS**  trans-109.1133.4164.746.90000108.1
28S61.3Low49.3Very low98 Ų98148.5 Ų148.569%0.68579%0.787SS**  trans-124.6112.9173.959.50000110.8
29E49Very low49.1Very low189 Ų189147.4 Ų147.488%0.88378%0.782SS**  trans-78142.3164.7-53.1178161.100108.8
30D60.3Low49.2Very low152 Ų152145.8 Ų145.881%0.81378%0.782SS**  -167.7144.7120.4-139.2-25.2000111.1
31E49.5Very low48.8Very low161 Ų161145.1 Ų145.175%0.75278%0.783SS**  trans-81164.6169-73.5-173.4103.400110.5
32H53.2Low48.8Very low149 Ų149142.7 Ų142.769%0.6978%0.78SS**  168.7133.6112.4-91.273.8000113.9
33T46.6Very low48.8Very low132 Ų132139.8 Ų139.881%0.8177%0.773SS**  trans68.9108.5155.458.80000120.9
34R42.6Very low48.6Very low240 Ų240142.2 Ų142.291%0.90677%0.772SS**  trans-73149.6154-74.8176.2161.7-163.3-3.3111.5
35T47.6Very low48.3Very low146 Ų146143.8 Ų143.890%0.89678%0.779SS**  -163.7149.3127.412.90000111.7
36P51.8Low48.9Very low111 Ų111142.3 Ų142.372%0.72178%0.779SS**  trans-127.3149.9-166.940.1-25000116.8
37V48Very low48.7Very low140 Ų140140.3 Ų140.385%0.84878%0.78SS**  trans-152113.1161.7-176.20000105.7
38V47.7Very low48.7Very low114 Ų114142 Ų14269%0.69178%0.784SS**  cis83.1131.449.7-171.70000113.3
39L46.4Very low48Very low152 Ų152142.2 Ų142.280%0.79679%0.785SS**  trans82.6106.5-180-50.7-173.9000115.9
40S47.4Very low47.7Very low108 Ų108140.3 Ų140.376%0.75578%0.781SS**  94.4144.480.876.80000110.9
41D48.2Very low46.8Very low150 Ų150139.6 Ų139.680%0.80278%0.777SS**  cis-163.4-176.28-156.4-16.5000108.9
42T48.5Very low46.5Very low111 Ų111143.2 Ų143.268%0.68178%0.784SS**  trans85.7100.7155.5-39.90000119.3
43S45.7Very low46.2Very low87 Ų87144.3 Ų144.361%0.60879%0.789SS**  trans-4.2137148.459.30000121
44H44.6Very low46.4Very low178 Ų178148.3 Ų148.382%0.82480%0.795SS**  -172.4130.6106.9-103.9-68.9000112.4
45S44.8Very low46.3Very low116 Ų116144.6 Ų144.681%0.81179%0.788SS**  trans-99.7143.8163.8-48.60000110.2
46P56.6Low46.3Very low123 Ų123144 Ų14480%0.79978%0.784SS**  trans-122.4137.2151.633.8-23.1000112.4
47I40.5Very low46.1Very low161 Ų161145.9 Ų145.983%0.82678%0.784SS**  trans-76.2140.3170.7-67.2158.4000109
48L42.7Very low45.6Very low165 Ų165144.5 Ų144.586%0.86478%0.777SS**  trans-15093.6157.2-150.670.1000115
49S45.7Very low45.7Very low101 Ų101147.8 Ų147.871%0.70679%0.79SS**  trans51.5124.3135.2-51.80000123.3
50D42.4Very low45.4Very low149 Ų149152.5 Ų152.580%0.79780%0.797SS**  trans-48.5144.2154.5-89-57.1000115
51N43.4Very low45.2Very low137 Ų137150.2 Ų150.273%0.73379%0.791SS**  163.5124.3113-94.6-73.4000112.2
52R42.4Very low45.4Very low237 Ų237151.1 Ų151.189%0.89480%0.796SS**  -178.2132.9105.9-104.9-175.7158.5-169.5-8114.5
53Q46.6Very low45.1Very low172 Ų172153.4 Ų153.480%0.80480%0.804SS**  trans-59.8147.8173.6-58.3138.9-35.600113
54K51.1Low45.4Very low216 Ų216159.7 Ų159.794%0.93982%0.82SS**  trans-147.2105.2143-110.6178.9-176-176.10111.6
55E41.1Very low45.2Very low162 Ų162158.4 Ų158.476%0.75781%0.814SS**  trans-64.8135.7172.5167.5-162.9163.900113.3
56V46.1Very low45.5Very low135 Ų135158.9 Ų158.982%0.81881%0.812SS**  trans-151.8106.1146.3-173.60000111.9
57Q49.2Very low44.9Very low150 Ų150159.4 Ų159.470%0.70180%0.804SS**  trans42.2133.6142.3-52.8-65.2-16.200123.4
58P37.5Very low45.1Very low111 Ų111157.7 Ų157.772%0.72180%0.796SS**  trans-93.4154.4164.637.7-32.2000113.1
59L48.4Very low45.3Very low182 Ų182155.9 Ų155.995%0.95379%0.788SS**  trans-119.2157.5171.3-77.8173.5000112.8
60R40.6Very low45.5Very low251 Ų251156 Ų15695%0.94778%0.784SS**  trans-148.1144.5-150.8-179.7-174.7-174.8-161.53.1109.9
61G42.8Very low45.7Very low61 Ų61155.6 Ų155.663%0.62978%0.782SS**  trans108.7144.4179.400000112.3
62D52.5Low45.9Very low168 Ų168156.3 Ų156.390%0.89879%0.786SS**  cis-140150.415.1-76.7-39.4000114.6
63N42.3Very low46.2Very low159 Ų159149.9 Ų149.985%0.8578%0.777SS**  trans-81146.6171.5-69-48.8000111.8
64K51.6Low46.2Very low219 Ų219146.8 Ų146.895%0.95277%0.774SS**  trans-137.9158.9142.1-72-159.7176.8-178.60111.2
65H40Very low46.1Very low152 Ų152142.8 Ų142.870%0.70477%0.768SS**  trans-117.1-177.2-144.3-163.3-94.6000113.6E67H65-E67 IonicContact CE1-OE1 2.69Å; H65-E67 PolarHBondContact CE1-OE1 3.27Å; H65-E67 VanDerWaalsContact CE1-OE1 3.31Å
66V51.9Low46.6Very low126 Ų126140 Ų14076%0.76476%0.764SS**  trans110.195.5171.2178.90000111.6
67E43.9Very low46.4Very low133 Ų133138.3 Ų138.362%0.62176%0.758SS**  64.3137.472.3-69.8-159.7-170.500114.6H65H65-E67 IonicContact CE1-OE1 2.69Å; H65-E67 PolarHBondContact CE1-OE1 3.27Å; H65-E67 VanDerWaalsContact CE1-OE1 3.31Å
68N44.5Very low46.4Very low126 Ų126140.1 Ų140.167%0.67476%0.763SS**  cis-172.1165.5-3.6-103.5-10.8000108.7
69D47.8Very low46.8Very low127 Ų127144.4 Ų144.468%0.67977%0.771SS**  cis-170.5169.9-17.7-169.412.7000110.3
70T49.7Very low46.7Very low102 Ų102140.9 Ų140.963%0.62677%0.768SS**  trans68.5152.8160.865.30000121.2
71N47.3Very low47.2Very low142 Ų142140.4 Ų140.476%0.75977%0.766SS**  cis-158.1143.5-3.6-104.4-16.2000109.4
72D46.9Very low47.2Very low151 Ų151145.2 Ų145.281%0.80778%0.776SS**  61.3136.990.1-157.354.9000115.5
73S47.9Very low46.9Very low102 Ų102141.3 Ų141.371%0.71377%0.768SS**  cis-144.4-170.225.265.80000114.6
74S46.3Very low47.5Very low107 Ų107141.7 Ų141.775%0.74877%0.768SS**  trans-163.2-165.9-170.357.70000118.2
75V49.4Very low47.4Very low132 Ų132137.2 Ų137.280%0.876%0.761SS**  trans84.6170162.7-111.70000121.4
76P51.4Low48.1Very low103 Ų103136 Ų13667%0.66977%0.77SS**  -145.6-171.2-116.151.7-31.6000120.5
77S43.3Very low48.4Very low100 Ų100133.1 Ų133.170%0.69977%0.766SS**  trans47.1137.4141.5-63.20000125.2
78K48.5Very low48.7Very low188 Ų188135.5 Ų135.582%0.81778%0.782SS**  174.2137.7119-95.7153.9-171.2163.60118.8
79K45.2Very low49.4Very low202 Ų202135 Ų13588%0.87878%0.783SS**  trans83.9154.6140.9-70.6177.3178-172.40122.6
80A46.4Very low49.7Very low107 Ų107134.3 Ų134.388%0.88479%0.788SS**  trans-137.6177.7-161.400000113.8
81R50.9Low50.6Low242 Ų242139.2 Ų139.291%0.91380%0.797SS**  trans-155.3160.2177.1-170.8168.4165.1176.3-5.6113.8
82L43.1Very low51.4Low161 Ų161137 Ų13784%0.84380%0.798SS**  trans-127.6171.5-172.2-63.9173.4000111.3
83A46Very low51.6Low87 Ų87137.6 Ų137.672%0.71980%0.8SS**  cis-175.5159.7-30.100000108.5
84I56.3Low52.9Low167 Ų167140.5 Ų140.586%0.85681%0.807SS**  trans-148.3137.8-178.4-51.7179.3000112.1
85P48.1Very low53.7Low125 Ų125143.4 Ų143.481%0.81281%0.809SS**  trans-115.1145.5173.338.4-28.5000116
86S54.8Low54Low126 Ų126143.9 Ų143.988%0.88181%0.807SS**  trans-158.4166.1159.558.60000107.2
87G58.4Low54.6Low66 Ų66147.3 Ų147.368%0.6882%0.82SS**  cis-171.3-161.9-200000108.9
88L50.6Low55.1Low183 Ų183149.4 Ų149.496%0.95882%0.823SS**  trans-133.8141.9168.1-74.2170.8000111.4
89V59.8Low55.7Low114 Ų114149.9 Ų149.969%0.69183%0.828SS**  trans-103.9141.4-177.8178.70000110.2Y91V89-Y91 HydrophobicContact CB-CE2 4.47Å; V89-Y91 HydrophobicContact CG1-CD2 4.32Å; V89-Y91 HydrophobicContact CG1-CE1 4.14Å; V89-Y91 HydrophobicContact CG1-CE2 3.76Å
90S52.9Low56Low114 Ų114148.5 Ų148.580%0.79782%0.824SS**  trans-111.6140.6171.4179.50000108.8
91Y70.1Confident56.2Low204 Ų204149.9 Ų149.980%0.882%0.822SS**  trans-112.3119.6173.7-68.4-77.4000109.7V89V89-Y91 HydrophobicContact CB-CE2 4.47Å; V89-Y91 HydrophobicContact CG1-CD2 4.32Å; V89-Y91 HydrophobicContact CG1-CE1 4.14Å; V89-Y91 HydrophobicContact CG1-CE2 3.76Å
92A62.5Low56Low96 Ų96144.9 Ų144.979%0.79382%0.818SS**  trans-73.8149.9158.300000108.2
93I51.8Low56.5Low164 Ų164144.6 Ų144.684%0.84182%0.817SS**  trans-81.9136174.9-136.1160000107.7
94D74.9Confident56.4Low162 Ų162148 Ų14887%0.86682%0.823SS**  trans-112.2132177.1-147.48.9000106.8
95E63Low56.4Low168 Ų168145.8 Ų145.879%0.78582%0.817SS**  trans-93.1133.3-173.2-70.1175.8144.600110.8
96D56.6Low56.4Low143 Ų143147.8 Ų147.877%0.76582%0.821SS**  trans31.7122.1146.2-50-22.4000120.4
97D63.4Low56.5Low174 Ų174150.1 Ų150.193%0.9382%0.818SS**  trans-155.1106.6138-108.9-25000110.6
98D53.9Low56Low144 Ų144154.8 Ų154.877%0.7783%0.828SS**  trans-88120.8173.6-79.9-56.8000110.6
99E61.4Low56Low198 Ų198152.6 Ų152.693%0.92582%0.822SS**  trans-129.4126.1156.9-78.9-154.1165.900112.9
100H51.5Low55.2Low173 Ų173154.7 Ų154.780%0.80183%0.829SS**  trans-80147.6-178.9-56.3-78.5000112.5
101T51.2Low55.1Low137 Ų137155.1 Ų155.184%0.8483%0.832SS**  trans-159110.9139.93.70000111.4
102V46.4Very low54Low136 Ų136153.6 Ų153.682%0.82484%0.838SS**  trans-91.2131165.4-76.20000109.3
103L53Low53.2Low156 Ų156152.3 Ų152.382%0.81783%0.834SS**  trans-135.298.7169.9-75.4177.2000109.2
104D44.8Very low53.2Low158 Ų158152.5 Ų152.585%0.84583%0.831SS**  trans-69.7129.2164.1-65.6-52.7000109.3
105T55.3Low51.8Low120 Ų120150.5 Ų150.574%0.73682%0.821SS**  trans-151.891.1162.6-63.30000109.9Q107T105-Q107 HydrophobicContact CG2-CG 4.48Å; T105-Q107 PolarHBondContact O-N 3.36Å
106D47.2Very low51.2Low168 Ų168149.3 Ų149.390%0.89882%0.82SS**  trans-71.8112.5159-78.3-40.9000109.3
107Q57.9Low50.8Low175 Ų175147.9 Ų147.982%0.81882%0.819SS**  trans-141.9131153.5-72.2-157.94.400111.5T105T105-Q107 HydrophobicContact CG2-CG 4.48Å; T105-Q107 PolarHBondContact O-N 3.36Å
108N47.1Very low49.9Very low164 Ų164147.7 Ų147.788%0.87781%0.809SS**  trans-69.7137.8175-55.2-62.2000111.3
109T51.2Low49.7Very low136 Ų136146.9 Ų146.983%0.83481%0.812SS**  trans-145.7111.7154.547.90000110.8
110D42.7Very low48.7Very low159 Ų159147.1 Ų147.185%0.8581%0.81SS**  trans-68.8138.8161.6-67.6-58000110.5
111S51.9Low48.1Very low123 Ų123141.4 Ų141.486%0.8680%0.797SS**  trans-165.9134.3149.2-83.70000111.5
112D46.4Very low47.5Very low171 Ų171141.9 Ų141.991%0.91480%0.795SS**  trans-67.7157.3177.5-51.1-82.3000113.2
113G45.8Very low47.5Very low70 Ų70142.6 Ų142.672%0.72279%0.789SS**  trans170.675.7170.700000118.7
114E52.2Low46.9Very low167 Ų167137.6 Ų137.678%0.7878%0.775SS**  trans57.1109.9134.5-62.7-84.2104.500121.7
115N45.8Very low46.8Very low121 Ų121135.5 Ų135.565%0.64776%0.759SS**  69.2104.5128-65.7-42000123.7
116D49.5Very low46.1Very low143 Ų143136.9 Ų136.977%0.76576%0.756SS**  59161.2129.1-104.6-12.7000120.7
117P47.7Very low46.4Very low113 Ų113132.3 Ų132.373%0.73473%0.732SS**  cis-130.11611.938.9-21.3000117.9
118K44.8Very low45.6Very low169 Ų169125.7 Ų125.774%0.73571%0.711SS**  trans-25129.6162.7-75.3165.3172.1149.70116.9K120K118-K120 PolarHBondContact O-N 2.91Å
119P49.6Very low45.5Very low128 Ų128121.3 Ų121.383%0.83169%0.693SS**  trans-73.5107.2143.530.6-29.2000109.2G121P119-G121 PolarHBondContact O-N 3.41Å; P119-G121 VanDerWaalsContact O-N 3.1Å
120K39.9Very low45.4Very low203 Ų203118.5 Ų118.588%0.88367%0.671SS**  trans-70.2101.3164.2-74.4-178.2179.1176.60108.3K118K118-K120 PolarHBondContact O-N 2.91Å
121G39.4Very low45.6Very low52 Ų52117 Ų11754%0.53666%0.663SS.*  trans-144.737.7-178.400000112.5P119 H123P119-G121 PolarHBondContact O-N 3.41Å; P119-G121 VanDerWaalsContact O-N 3.1Å; G121-H123 VanDerWaalsContact C-N 3.26Å; G121-H123 PolarHBondContact O-N 3.45Å
122D39.3Very low45.5Very low147 Ų147116 Ų11679%0.78665%0.647SS**  trans-69.587.8173.6-173.77.7000109.9G124D122-G124 VanDerWaalsContact C-N 3.3Å; D122-G124 WeakPolarHBondContact OD1-CA 3.26Å; D122-G124 PolarHBondContact OD1-N 3.46Å
123H45.6Very low45.1Very low152 Ų152113.8 Ų113.870%0.70464%0.642SS**  trans-10046.5162.1-64.5-43.9000109.5G121 F125G121-H123 VanDerWaalsContact C-N 3.26Å; G121-H123 PolarHBondContact O-N 3.45Å; H123-F125 HydrophobicContact CB-CZ 4.48Å; H123-F125 WeakPolarHBondContact O-CE1 3.03Å; H123-F125 VanDerWaalsContact O-CE2 3.24Å; H123-F125 WeakPolarHBondContact O-CE2 3.26Å; H123-F125 WeakPolarHBondContact O-CZ 3.4Å; H123-F125 PolarHBondContact O-N 3.11Å; H123-F125 VanDerWaalsContact O-N 3.12Å
124G40.5Very low45Very low51 Ų51115 Ų11553%0.52663%0.632SS.*  trans-53.3115.4169.200000110.8D122 H126D122-G124 VanDerWaalsContact C-N 3.3Å; D122-G124 WeakPolarHBondContact OD1-CA 3.26Å; D122-G124 PolarHBondContact OD1-N 3.46Å; G124-H126 VanDerWaalsContact C-N 3.29Å; G124-H126 PolarHBondContact O-N 3.23Å
125F42.7Very low44.6Very low114 Ų114112.7 Ų112.750%0.563%0.625SS.*  trans-72.183.6-178.8-46.6-79.4000109.1H123 L127 K243H123-F125 HydrophobicContact CB-CZ 4.48Å; H123-F125 WeakPolarHBondContact O-CE1 3.03Å; H123-F125 VanDerWaalsContact O-CE2 3.24Å; H123-F125 WeakPolarHBondContact O-CE2 3.26Å; H123-F125 WeakPolarHBondContact O-CZ 3.4Å; H123-F125 PolarHBondContact O-N 3.11Å; H123-F125 VanDerWaalsContact O-N 3.12Å; F125-L127 VanDerWaalsContact C-N 3.31Å; F125-L127 HydrophobicContact CB-CD1 4.43Å; F125-L127 PolarHBondContact O-N 2.74Å; F125-K243 HydrophobicContact CD2-CD 4.02Å; F125-K243 HydrophobicContact CE1-CD 4.39Å; F125-K243 HydrophobicContact CE2-CD 3.58Å; F125-K243 HydrophobicContact CE2-CG 4.45Å; F125-K243 HydrophobicContact CZ-CD 3.83Å
126H41.8Very low44.2Very low148 Ų148114.7 Ų114.769%0.68564%0.635SS**  trans-71.884.5179.1-174.974.2000110.9G124 G128 S129G124-H126 VanDerWaalsContact C-N 3.29Å; G124-H126 PolarHBondContact O-N 3.23Å; H126-G128 WeakPolarHBondContact NE2-CA 3.42Å; H126-G128 PolarHBondContact O-N 2.93Å; H126-G128 VanDerWaalsContact O-N 3.08Å; H126-S129 PolarHBondContact NE2-N 3.17Å
127L52.6Low44Very low72 Ų72112.7 Ų112.738%0.37763%0.633SS.*THydrogen-bonded Turntrans-64.5-2.6172.5-86.9111.1000114.1F125 F235F125-L127 VanDerWaalsContact C-N 3.31Å; F125-L127 HydrophobicContact CB-CD1 4.43Å; F125-L127 PolarHBondContact O-N 2.74Å; L127-F235 HydrophobicContact CD2-CE1 4.28Å; L127-F235 HydrophobicContact CD2-CZ 3.73Å
128G40.4Very low43.5Very low37 Ų37111.3 Ų111.338%0.38164%0.638SS.*THydrogen-bonded Turntrans-67.5-44.1-177.400000114.1H126 R209H126-G128 WeakPolarHBondContact NE2-CA 3.42Å; H126-G128 PolarHBondContact O-N 2.93Å; H126-G128 VanDerWaalsContact O-N 3.08Å; G128-R209 PolarHBondContact O-NH1 3.48Å
129S44.8Very low43.8Very low71 Ų71106 Ų10650%0.49763%0.632SS.*  trans-104.268.8-174.3-127.60000112.4H126 D131H126-S129 PolarHBondContact NE2-N 3.17Å; S129-D131 WeakPolarHBondContact CB-OD2 3.24Å; S129-D131 PolarHBondContact O-N 3.29Å; S129-D131 PolarHBondContact OG-OD2 3.13Å
130M49.8Very low43.2Very low78 Ų78106 Ų10638%0.38463%0.632SS.*  trans-83.474161-82.1-74.6162.800108.9I132 N232 A234 F235M130-I132 VanDerWaalsContact C-N 3.27Å; M130-I132 PolarHBondContact O-N 2.96Å; M130-N232 WeakPolarHBondContact CE-ND2 3.44Å; M130-N232 PolarHBondContact SD-ND2 3.18Å; M130-A234 HydrophobicContact CE-CB 4.37Å; M130-F235 HydrophobicContact CE-CE2 4.28Å
131D46.5Very low43.3Very low128 Ų12899.9 Ų99.968%0.68461%0.613SS**  trans-72.582.6173.7-65-62.8000109.7S129 P133S129-D131 WeakPolarHBondContact CB-OD2 3.24Å; S129-D131 PolarHBondContact O-N 3.29Å; S129-D131 PolarHBondContact OG-OD2 3.13Å; D131-P133 VanDerWaalsContact O-CD 3.29Å; D131-P133 WeakPolarHBondContact O-CD 3.39Å
132I50.6Low43.5Very low101 Ų101103.7 Ų103.752%0.51863%0.626SS.*  trans-66.5116.6168.9-58.5173.8000106.9M130 L134M130-I132 VanDerWaalsContact C-N 3.27Å; M130-I132 PolarHBondContact O-N 2.96Å; I132-L134 PolarHBondContact O-N 3.01Å
133P38.8Very low43.5Very low125 Ų125103.3 Ų103.381%0.81262%0.623SS**  trans-61.3124.3178.5-19.231.9000109.3D131D131-P133 VanDerWaalsContact O-CD 3.29Å; D131-P133 WeakPolarHBondContact O-CD 3.39Å
134L43.6Very low42.8Very low96 Ų96105.1 Ų105.150%0.50363%0.629SS.*  trans-136.8134.3179-171.464.3000109.9I132I132-L134 PolarHBondContact O-N 3.01Å
135D43.4Very low42.5Very low118 Ų118108.5 Ų108.563%0.63165%0.645SS**  trans-66.6154.817580.378.4000111.8S137D135-S137 PolarHBondContact OD1-N 2.93Å; D135-S137 PolarHBondContact OD1-OG 3.35Å
136N36.7Very low42.5Very low162 Ų162107.9 Ų107.987%0.86665%0.654SS**  trans-107.675.6-174.5-173.580.1000109.8
137S44.9Very low42.4Very low102 Ų102108.8 Ų108.871%0.71366%0.664SS**  trans-104.9110.1167.247.30000110D135D135-S137 PolarHBondContact OD1-N 2.93Å; D135-S137 PolarHBondContact OD1-OG 3.35Å
138G37.8Very low42Very low83 Ų83113 Ų11386%0.85668%0.682SS**  trans-85.8145.7-165.100000115.4
139G51.3Low42.1Very low59 Ų59116.8 Ų116.861%0.60870%0.699SS**  trans-177.2133.1168.100000111.3
140P36.9Very low42Very low128 Ų128120.2 Ų120.283%0.83171%0.711SS**  trans-82.5137.6179.232.8-33.1000111.4
141P42.7Very low41.4Very low74 Ų74124 Ų12448%0.48173%0.733SS.*  trans-97.3127.2-178.935.2-31.3000113.1
142T42.1Very low41.3Very low131 Ų131125 Ų12580%0.80474%0.737SS**  trans-87.4110.8173.1-59.60000111.4
143I40.5Very low40.7Very low139 Ų139127.8 Ų127.871%0.71375%0.751SS**  trans41.8116.3134.5-58.5176.9000119.2
144F31.4Very low40.8Very low191 Ų191125.6 Ų125.684%0.83874%0.739SS**  trans34.1116.6145.8-68.8-108.5000121.4
145S32.9Very low40.9Very low122 Ų122129.6 Ų129.685%0.85376%0.755SS**  175.5116.6126.1-79.90000111.6
146S42.5Very low40.9Very low100 Ų100130.9 Ų130.970%0.69976%0.762SS**  trans-172.5112155.2-1670000110.9Q148S146-Q148 PolarHBondContact O-N 3.05Å
147D39.6Very low40.9Very low167 Ų167132.3 Ų132.389%0.89376%0.764SS**  trans-86.979.2-178.5-54.4-59.1000111.4
148Q45.4Very low40.8Very low161 Ų161134.8 Ų134.875%0.75277%0.768SS**  trans-119.7122.5170.2-68.2-159.1-1.800112S146 I150S146-Q148 PolarHBondContact O-N 3.05Å; Q148-I150 PolarHBondContact O-N 3.04Å
149P41.3Very low40.5Very low116 Ų116139 Ų13975%0.75377%0.765SS**  trans-69.8126.8174.928.6-33000110.2N151P149-N151 PolarHBondContact O-N 3.49Å; P149-N151 VanDerWaalsContact O-N 3.09Å
150I43.9Very low40.1Very low143 Ų143143.3 Ų143.373%0.73377%0.773SS**  trans-71.6104.8173.2-59.7174.9000108Q148 I152Q148-I150 PolarHBondContact O-N 3.04Å; I150-I152 HydrophobicContact CG2-CG1 4.18Å; I150-I152 PolarHBondContact O-N 3.35Å
151N37Very low40.1Very low159 Ų159141.7 Ų141.785%0.8577%0.765SS**  trans-69.692.2173.7-104.8-13.2000110.2P149 L153P149-N151 PolarHBondContact O-N 3.49Å; P149-N151 VanDerWaalsContact O-N 3.09Å; N151-L153 PolarHBondContact O-N 2.92Å
152I44.1Very low40.3Very low149 Ų149146.4 Ų146.476%0.76478%0.78SS**  trans-75.6105.9168-58.8178.2000107.7I150 S154I150-I152 HydrophobicContact CG2-CG1 4.18Å; I150-I152 PolarHBondContact O-N 3.35Å; I152-S154 PolarHBondContact O-N 2.96Å
153L38.1Very low40.2Very low158 Ų158146 Ų14683%0.82778%0.779SS**  trans-68.697.4177.9-178.163.8000110.2N151 Q155N151-L153 PolarHBondContact O-N 2.92Å; L153-Q155 PolarHBondContact O-N 3.25Å
154S41.1Very low40.4Very low79 Ų79146.1 Ų146.155%0.55279%0.787SS**  trans-64.4117.9178.4-178.20000111.7I152 N156I152-S154 PolarHBondContact O-N 2.96Å; S154-N156 PolarHBondContact O-N 2.94Å; S154-N156 VanDerWaalsContact OG-CG 3.23Å; S154-N156 PolarHBondContact OG-ND2 2.78Å; S154-N156 PolarHBondContact OG-OD1 2.98Å
155Q44.8Very low41.2Very low180 Ų180144.2 Ų144.284%0.84179%0.785SS**  trans-78.249.9177.5-71.3-172-1500112.8L153 Q157L153-Q155 PolarHBondContact O-N 3.25Å; Q155-Q157 PolarHBondContact O-N 3.36Å
156N44.8Very low41.6Very low146 Ų146145.6 Ų145.678%0.78178%0.783SS**  trans-98.332.7-178.6-70.16.1000113.1S154S154-N156 PolarHBondContact O-N 2.94Å; S154-N156 VanDerWaalsContact OG-CG 3.23Å; S154-N156 PolarHBondContact OG-ND2 2.78Å; S154-N156 PolarHBondContact OG-OD1 2.98Å
157Q36.6Very low42.1Very low192 Ų192146.8 Ų146.890%0.89779%0.786SS**  trans-12060.6171.6-106.1-169.791.600111.4Q155Q155-Q157 PolarHBondContact O-N 3.36Å
158L41.5Very low42.2Very low154 Ų154148.2 Ų148.281%0.80678%0.784SS**  trans-100.4102.8156.3-74.4176.4000108.4I160L158-I160 PolarHBondContact O-N 2.94Å
159H31.5Very low42.1Very low171 Ų171148.4 Ų148.479%0.79279%0.79SS**  trans-73.786.7-179.9-171.1175.4000109.3S161H159-S161 PolarHBondContact O-N 3.47Å
160I43.1Very low42Very low150 Ų150147.5 Ų147.577%0.76979%0.787SS**  trans-81.7107.2172.8-60175.2000108L158 E162L158-I160 PolarHBondContact O-N 2.94Å; I160-E162 PolarHBondContact O-N 3.29Å
161S38.2Very low41.9Very low94 Ų94147.8 Ų147.866%0.65779%0.79SS**  trans-84.6103.6178.1-48.30000110.6H159H159-S161 PolarHBondContact O-N 3.47Å
162E46.6Very low42.1Very low173 Ų173147.9 Ų147.981%0.80879%0.789SS**  trans-80140.5167.7-80.7-161.8141.200112I160I160-E162 PolarHBondContact O-N 3.29Å
163P39.1Very low42.2Very low121 Ų121147.4 Ų147.479%0.78679%0.787SS**  trans-85.3112.8176.632.8-31.9000111.7
164V45.9Very low42.2Very low143 Ų143146.2 Ų146.287%0.86779%0.787SS**  trans-84.2112.9173.5-85.30000112.2
165N47.2Very low42.4Very low151 Ų151148.2 Ų148.281%0.80779%0.791SS**  trans-97.2115.1165.7-87.2-17.2000111.6
166D40.5Very low42.1Very low150 Ų150147.7 Ų147.780%0.80279%0.788SS**  trans82.2154.8135-94.6-39.9000124.6
167V53.3Low41.9Very low126 Ų126147 Ų14776%0.76479%0.79SS**  trans7996.5170.3-160.10000117.9N169V167-N169 PolarHBondContact O-N 3.48Å
168K42.8Very low42.2Very low197 Ų197147.5 Ų147.586%0.85779%0.789SS**  trans-51.6132159.9-67.8168.7176.9169.70111.9
169N43.5Very low42.6Very low165 Ų165144.5 Ų144.588%0.88278%0.781SS**  trans-135108.2138.3-103.8-25.1000109.4V167V167-N169 PolarHBondContact O-N 3.48Å
170S38.7Very low43.5Very low97 Ų97143.7 Ų143.768%0.67878%0.777SS**  trans-78.3123.1169-177.90000108.1
171N41.1Very low44Very low148 Ų148141 Ų14179%0.79177%0.772SS**  167.9149.9121-79.6-20.2000112.3
172L42.2Very low44.8Very low162 Ų162143.5 Ų143.585%0.84877%0.773SS**  trans89.8135.4160.3-135.372.9000118.3
173I46Very low45.5Very low138 Ų138138.3 Ų138.371%0.70875%0.753SS**  trans72.468.2167.7-35-176.6000116.3N175I173-N175 HydrophobicContact CG2-CB 4.45Å; I173-N175 PolarHBondContact O-N 2.81Å
174T37.6Very low46.8Very low134 Ų134137.8 Ų137.882%0.82274%0.743SS**  trans-60.6118.4133-52.80000107.7
175N45.4Very low47.8Very low120 Ų120134.9 Ų134.964%0.64273%0.726SS**  trans173.1127.3150.8-87.3-12.7000110I173I173-N175 HydrophobicContact CG2-CB 4.45Å; I173-N175 PolarHBondContact O-N 2.81Å
176E38.4Very low48.9Very low169 Ų169132.9 Ų132.979%0.7971%0.712SS**  trans50.871.8150.3-46.6-44.9121.100120.5
177T41.8Very low50.2Low132 Ų132134.3 Ų134.381%0.8171%0.706SS**  trans-129.633.8159.953.50000113.8S179T177-S179 PolarHBondContact O-N 3.28Å
178K42Very low51.2Low203 Ų203133.4 Ų133.488%0.88370%0.696SS**  trans-97.967.4176.1-168.3-172.7177-177.30111.6
179S49.3Very low52.7Low91 Ų91129.8 Ų129.864%0.63669%0.685SS**SBendtrans-163.9-22.3168.6-1260000117.2T177 S181T177-S179 PolarHBondContact O-N 3.28Å; S179-S181 PolarHBondContact O-N 3.45Å
180E51.9Low54Low153 Ų153128.9 Ų128.972%0.71568%0.676SS**Hα-helixtrans-73.8-33.6-164.2-61.3-169.515500114.9H182 T183E180-H182 PolarHBondContact O-N 3.25Å; E180-T183 PolarHBondContact O-N 3.08Å; E180-T183 VanDerWaalsContact O-N 3.16Å; E180-T183 PolarHBondContact O-OG1 2.9Å
181S53.5Low55.7Low95 Ų95127.6 Ų127.666%0.66467%0.671SS**Hα-helixtrans-67.8-28.8-176.452.20000114.5S179 T183 T185S179-S181 PolarHBondContact O-N 3.45Å; S181-T183 VanDerWaalsContact C-N 3.34Å; S181-T185 PolarHBondContact O-OG1 3.03Å
182H53.2Low57.4Low145 Ų145125.8 Ų125.867%0.67167%0.665SS**Hα-helixtrans-65.3-39.5172.6-99.2-92.1000111.4E180 L184 T185 E186E180-H182 PolarHBondContact O-N 3.25Å; H182-L184 VanDerWaalsContact C-N 3.32Å; H182-L184 PolarHBondContact O-N 3.46Å; H182-T185 PolarHBondContact O-N 2.85Å; H182-E186 VanDerWaalsContact O-CB 3.3Å; H182-E186 WeakPolarHBondContact O-CB 3.35Å; H182-E186 PolarHBondContact O-N 3.39Å
183T62.2Low59.3Low64 Ų64126.4 Ų126.439%0.39366%0.663SS.*Hα-helixtrans-65.8-32-174.272.70000113.5E180 S181 R187E180-T183 PolarHBondContact O-N 3.08Å; E180-T183 VanDerWaalsContact O-N 3.16Å; E180-T183 PolarHBondContact O-OG1 2.9Å; S181-T183 VanDerWaalsContact C-N 3.34Å; T183-R187 WeakPolarHBondContact O-CB 3.19Å; T183-R187 VanDerWaalsContact O-CG 3.23Å; T183-R187 WeakPolarHBondContact O-CG 3.42Å; T183-R187 PolarHBondContact O-N 3.34Å
184L66Low61.2Low110 Ų110127.3 Ų127.358%0.57667%0.669SS**Hα-helixtrans-76.5-44.9-178.5-167.6138000111.1H182 E186 R187 L188H182-L184 VanDerWaalsContact C-N 3.32Å; H182-L184 PolarHBondContact O-N 3.46Å; L184-E186 VanDerWaalsContact C-N 3.35Å; L184-E186 PolarHBondContact O-N 3.21Å; L184-R187 PolarHBondContact O-N 3.38Å; L184-L188 HydrophobicContact CD2-CD1 3.7Å; L184-L188 HydrophobicContact CD2-CG 4.37Å; L184-L188 VanDerWaalsContact O-CG 3.32Å; L184-L188 WeakPolarHBondContact O-CG 3.46Å; L184-L188 PolarHBondContact O-N 2.82Å
185T68.1Low63.5Low83 Ų83126.5 Ų126.551%0.50967%0.666SS.*Hα-helixtrans-61.9-42.8174.8-49.60000111.5S181 H182 L188 I189S181-T185 PolarHBondContact O-OG1 3.03Å; H182-T185 PolarHBondContact O-N 2.85Å; T185-L188 PolarHBondContact O-N 3.34Å; T185-I189 HydrophobicContact CG2-CD1 4.13Å; T185-I189 WeakPolarHBondContact O-CG1 3.46Å; T185-I189 PolarHBondContact O-N 3.18Å
186E69.8Low65.5Low109 Ų109126 Ų12651%0.50967%0.672SS.*Hα-helixtrans-69.5-37.4-179.9-166.4163.9-163.900112.4H182 L184 I189 Q190H182-E186 VanDerWaalsContact O-CB 3.3Å; H182-E186 WeakPolarHBondContact O-CB 3.35Å; H182-E186 PolarHBondContact O-N 3.39Å; L184-E186 VanDerWaalsContact C-N 3.35Å; L184-E186 PolarHBondContact O-N 3.21Å; E186-I189 PolarHBondContact O-N 3.09Å; E186-Q190 WeakPolarHBondContact O-CG 3.42Å; E186-Q190 PolarHBondContact O-N 3.42Å
187R68.2Low67.9Low179 Ų179126.4 Ų126.468%0.67567%0.674SS**Hα-helixtrans-62.4-41.5168.4-80.6178.6-170.8164.47112.7T183 L184 Q190 A191T183-R187 WeakPolarHBondContact O-CB 3.19Å; T183-R187 VanDerWaalsContact O-CG 3.23Å; T183-R187 WeakPolarHBondContact O-CG 3.42Å; T183-R187 PolarHBondContact O-N 3.34Å; L184-R187 PolarHBondContact O-N 3.38Å; R187-Q190 PolarHBondContact O-N 2.95Å; R187-A191 VanDerWaalsContact O-CB 3.31Å; R187-A191 WeakPolarHBondContact O-CB 3.49Å; R187-A191 PolarHBondContact O-N 3.44Å
188L72.7Confident70Confident107 Ų107125.9 Ų125.956%0.5667%0.673SS**Hα-helixtrans-63.9-44.4177.6-73.5173.7000110.8L184 T185 Q190 A191 V192L184-L188 HydrophobicContact CD2-CD1 3.7Å; L184-L188 HydrophobicContact CD2-CG 4.37Å; L184-L188 VanDerWaalsContact O-CG 3.32Å; L184-L188 WeakPolarHBondContact O-CG 3.46Å; L184-L188 PolarHBondContact O-N 2.82Å; T185-L188 PolarHBondContact O-N 3.34Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 3.34Å; L188-A191 PolarHBondContact O-N 2.88Å; L188-A191 VanDerWaalsContact O-N 3.09Å; L188-V192 WeakPolarHBondContact O-CG2 3.35Å; L188-V192 PolarHBondContact O-N 3.42Å; L188-V192 VanDerWaalsContact O-N 3.1Å
189I74.4Confident72.1Confident122 Ų122123.6 Ų123.663%0.62668%0.676SS**Hα-helixtrans-59.5-43.4175.4-67.5163.7000111.1T185 E186 A191 V192T185-I189 HydrophobicContact CG2-CD1 4.13Å; T185-I189 WeakPolarHBondContact O-CG1 3.46Å; T185-I189 PolarHBondContact O-N 3.18Å; E186-I189 PolarHBondContact O-N 3.09Å; I189-A191 VanDerWaalsContact C-N 3.29Å; I189-A191 PolarHBondContact O-N 3.37Å; I189-V192 PolarHBondContact O-N 3.14Å
190Q71.7Confident73.8Confident146 Ų146122.3 Ų122.368%0.68268%0.677SS**Hα-helixtrans-68.6-23.8176.1-70.2175.916.500113.7E186 R187 L188E186-Q190 WeakPolarHBondContact O-CG 3.42Å; E186-Q190 PolarHBondContact O-N 3.42Å; R187-Q190 PolarHBondContact O-N 2.95Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 3.34Å
191A74Confident75.4Confident70 Ų70124.4 Ų124.458%0.57969%0.686SS**Hα-helixtrans-85.5-17.6178.200000113.7R187 L188 I189 Q193R187-A191 VanDerWaalsContact O-CB 3.31Å; R187-A191 WeakPolarHBondContact O-CB 3.49Å; R187-A191 PolarHBondContact O-N 3.44Å; L188-A191 PolarHBondContact O-N 2.88Å; L188-A191 VanDerWaalsContact O-N 3.09Å; I189-A191 VanDerWaalsContact C-N 3.29Å; I189-A191 PolarHBondContact O-N 3.37Å; A191-Q193 PolarHBondContact O-N 2.85Å
192V76.1Confident77Confident109 Ų109123 Ų12366%0.66168%0.675SS**  trans-75.990.5176.5174.70000109.8L188 I189L188-V192 WeakPolarHBondContact O-CG2 3.35Å; L188-V192 PolarHBondContact O-N 3.42Å; L188-V192 VanDerWaalsContact O-N 3.1Å; I189-V192 PolarHBondContact O-N 3.14Å
193Q83Confident78.8Confident176 Ų176119.6 Ų119.682%0.82267%0.668SS**PPolyproline II helixtrans-80.9133.6162-63.8-177.427.200108.9A191A191-Q193 PolarHBondContact O-N 2.85Å
194L85.8Confident80.3Confident156 Ų156122.6 Ų122.682%0.81768%0.68SS**PPolyproline II helixtrans-62.8142.5169.6-66.8174000109.2
195P85.6Confident81.7Confident117 Ų117122.8 Ų122.876%0.7669%0.685SS**PPolyproline II helixtrans-59.6146.8171.927.2-34.4000109.8
196S87.2Confident82.9Confident111 Ų111123.3 Ų123.378%0.77668%0.684SS**PPolyproline II helixtrans-54.4144.8173.155.30000110.9
197E88.6Confident84.1Confident177 Ų177122.5 Ų122.583%0.82768%0.68SS**PPolyproline II helixtrans-51.6137177.8-65.5-174.9174.900111.4T199E197-T199 PolarHBondContact O-N 3.43Å
198P87.8Confident85.4Confident121 Ų121118.5 Ų118.579%0.78667%0.669SS**PPolyproline II helixtrans-67.6127.1-175.127-34.3000110.9G200P198-G200 PolarHBondContact O-N 2.68Å
199T84.3Confident86.5Confident154 Ų154119.5 Ų119.595%0.94567%0.666SS**SBendtrans-67.696.1177.6-490000111.3E197E197-T199 PolarHBondContact O-N 3.43Å
200G85.7Confident87.4Confident64 Ų64117.5 Ų117.566%0.6666%0.659SS**SBendtrans162.3165.8173.600000113.3P198P198-G200 PolarHBondContact O-N 2.68Å
201H85.2Confident88.5Confident197 Ų197114.1 Ų114.191%0.91264%0.643SS**PPolyproline II helixtrans-89.3139.2170.2-65.984.9000109.7
202C86.6Confident89.4Confident65 Ų65115.3 Ų115.344%0.43963%0.633SS.*PPolyproline II helixtrans-63.1145.5169.4-170.70000110.1M204C202-M204 PolarHBondContact O-N 3.45Å
203S92.3Very high90.2Very high75 Ų75112.4 Ų112.452%0.52462%0.62SS.*PPolyproline II helixtrans-59.3126.6170.9173.90000109.5V205 L206 Q207S203-V205 PolarHBondContact O-N 3.44Å; S203-L206 WeakPolarHBondContact O-CA 3.26Å; S203-L206 WeakPolarHBondContact O-CB 3.26Å; S203-L206 PolarHBondContact O-N 2.93Å; S203-Q207 PolarHBondContact O-N 3.15Å
204M93.2Very high90.7Very high127 Ų127106.3 Ų106.363%0.62660%0.595SS**Hα-helixtrans-60.2-33.8-173.6-69-93.46000112.8C202 L206 Q207 E208C202-M204 PolarHBondContact O-N 3.45Å; M204-L206 VanDerWaalsContact C-N 3.33Å; M204-L206 PolarHBondContact O-N 3.19Å; M204-Q207 HydrophobicContact CE-CB 4.01Å; M204-Q207 HydrophobicContact CE-CG 4.18Å; M204-Q207 PolarHBondContact O-N 3.1Å; M204-E208 WeakPolarHBondContact O-CB 2.94Å; M204-E208 PolarHBondContact O-N 2.82Å
205V94.7Very high91Very high113 Ų113102.7 Ų102.769%0.68557%0.57SS**Hα-helixtrans-63.9-38173.8-178.70000111.7S203 R209S203-V205 PolarHBondContact O-N 3.44Å; V205-R209 VanDerWaalsContact O-CB 3.28Å; V205-R209 WeakPolarHBondContact O-CB 3.5Å; V205-R209 PolarHBondContact O-N 3.3Å; V205-R209 VanDerWaalsContact O-N 3.1Å
206L93.6Very high91.3Very high94 Ų9499.3 Ų99.349%0.49254%0.542SS..Hα-helixtrans-72-45176.6179.460.5000111S203 M204 E208 R209 V210S203-L206 WeakPolarHBondContact O-CA 3.26Å; S203-L206 WeakPolarHBondContact O-CB 3.26Å; S203-L206 PolarHBondContact O-N 2.93Å; M204-L206 VanDerWaalsContact C-N 3.33Å; M204-L206 PolarHBondContact O-N 3.19Å; L206-E208 PolarHBondContact O-N 3.29Å; L206-R209 PolarHBondContact O-N 3.23Å; L206-V210 HydrophobicContact CD1-CG2 4.21Å; L206-V210 WeakPolarHBondContact O-CG2 3.26Å; L206-V210 PolarHBondContact O-N 2.86Å
207Q94.6Very high91.5Very high93 Ų9398.6 Ų98.644%0.43553%0.528SS..Hα-helixtrans-59.3-47.5177.2-176.8167.4-7.900111.4S203 M204 R209 V210 E211S203-Q207 PolarHBondContact O-N 3.15Å; M204-Q207 HydrophobicContact CE-CB 4.01Å; M204-Q207 HydrophobicContact CE-CG 4.18Å; M204-Q207 PolarHBondContact O-N 3.1Å; Q207-R209 PolarHBondContact O-N 3Å; Q207-V210 PolarHBondContact O-N 3.39Å; Q207-E211 VanDerWaalsContact O-CB 3.29Å; Q207-E211 WeakPolarHBondContact O-CB 3.43Å; Q207-E211 PolarHBondContact O-N 3.39Å
208E95.8Very high91.6Very high95 Ų9599.5 Ų99.544%0.44452%0.524SS..Hα-helixtrans-63.5-39.8177.2-159.4-151.9174.300112M204 L206 E211 R212M204-E208 WeakPolarHBondContact O-CB 2.94Å; M204-E208 PolarHBondContact O-N 2.82Å; L206-E208 PolarHBondContact O-N 3.29Å; E208-E211 PolarHBondContact O-N 2.84Å; E208-R212 WeakPolarHBondContact O-CB 3.38Å; E208-R212 PolarHBondContact O-N 3.5Å; E208-R212 IonicContact OE1-CZ 2.68Å; E208-R212 IonicContact OE1-NH2 2.92Å; E208-R212 PolarHBondContact OE1-NH2 2.99Å; E208-R212 IonicContact OE2-NH2 3.54Å; E208-R212 PolarHBondContact OE2-NH2 2.97Å
209R95.5Very high91.8Very high127 Ų127100.1 Ų100.148%0.47952%0.52SS..Hα-helixtrans-62.5-44176-179.5172.7177.1151.4-5.1112G128 V205 L206 Q207 A213G128-R209 PolarHBondContact O-NH1 3.48Å; V205-R209 VanDerWaalsContact O-CB 3.28Å; V205-R209 WeakPolarHBondContact O-CB 3.5Å; V205-R209 PolarHBondContact O-N 3.3Å; V205-R209 VanDerWaalsContact O-N 3.1Å; L206-R209 PolarHBondContact O-N 3.23Å; Q207-R209 PolarHBondContact O-N 3Å; R209-A213 WeakPolarHBondContact O-CB 3.47Å; R209-A213 PolarHBondContact O-N 3.36Å
210V94.6Very high92.1Very high81 Ų8196.2 Ų96.249%0.49149%0.493SS..Hα-helixtrans-66.4-47.7176.4171.70000110.5L206 Q207 R212 A213 V214L206-V210 HydrophobicContact CD1-CG2 4.21Å; L206-V210 WeakPolarHBondContact O-CG2 3.26Å; L206-V210 PolarHBondContact O-N 2.86Å; Q207-V210 PolarHBondContact O-N 3.39Å; V210-R212 VanDerWaalsContact C-N 3.35Å; V210-R212 PolarHBondContact O-N 3Å; V210-A213 PolarHBondContact O-N 3.04Å; V210-A213 VanDerWaalsContact O-N 3.16Å; V210-V214 HydrophobicContact CG1-CG2 4.28Å; V210-V214 WeakPolarHBondContact O-CG2 3.24Å; V210-V214 PolarHBondContact O-N 3.45Å
211E94.6Very high92.1Very high74 Ų74101.7 Ų101.735%0.34651%0.505SS..Hα-helixtrans-60.9-43-179.6-163.7-152.6119.100111.7Q207 E208 A213 V214 R215Q207-E211 VanDerWaalsContact O-CB 3.29Å; Q207-E211 WeakPolarHBondContact O-CB 3.43Å; Q207-E211 PolarHBondContact O-N 3.39Å; E208-E211 PolarHBondContact O-N 2.84Å; E211-A213 PolarHBondContact O-N 3.09Å; E211-V214 PolarHBondContact O-N 3.31Å; E211-R215 WeakPolarHBondContact O-CB 3.24Å; E211-R215 WeakPolarHBondContact O-CG 3.34Å; E211-R215 PolarHBondContact O-N 3.06Å; E211-R215 IonicContact OE1-CZ 3.77Å; E211-R215 IonicContact OE1-NE 3.11Å; E211-R215 PolarHBondContact OE1-NE 3.31Å; E211-R215 IonicContact OE1-NH2 2.74Å; E211-R215 PolarHBondContact OE1-NH2 2.84Å
212R93.1Very high92.2Very high95 Ų9597.5 Ų97.536%0.35850%0.499SS..Hα-helixtrans-61.1-41.3175.2-169-174.6-60.4124.8-2.3112E208 V210 R216E208-R212 WeakPolarHBondContact O-CB 3.38Å; E208-R212 PolarHBondContact O-N 3.5Å; E208-R212 IonicContact OE1-CZ 2.68Å; E208-R212 IonicContact OE1-NH2 2.92Å; E208-R212 PolarHBondContact OE1-NH2 2.99Å; E208-R212 IonicContact OE2-NH2 3.54Å; E208-R212 PolarHBondContact OE2-NH2 2.97Å; V210-R212 VanDerWaalsContact C-N 3.35Å; V210-R212 PolarHBondContact O-N 3Å; R212-R216 PolarHBondContact O-N 3.41Å
213A91.5Very high92.3Very high49 Ų4997.5 Ų97.541%0.40549%0.49SS..Hα-helixtrans-68.3-42176.800000112.4R209 V210 E211 R216 M217R209-A213 WeakPolarHBondContact O-CB 3.47Å; R209-A213 PolarHBondContact O-N 3.36Å; V210-A213 PolarHBondContact O-N 3.04Å; V210-A213 VanDerWaalsContact O-N 3.16Å; E211-A213 PolarHBondContact O-N 3.09Å; A213-R216 PolarHBondContact O-N 3.48Å; A213-M217 WeakPolarHBondContact O-CB 3.31Å; A213-M217 PolarHBondContact O-N 3.1Å
214V93.5Very high92.3Very high47 Ų4797.4 Ų97.429%0.28548%0.484SS..Hα-helixtrans-66.3-39.9175.61720000111.3V210 E211 M217 R218V210-V214 HydrophobicContact CG1-CG2 4.28Å; V210-V214 WeakPolarHBondContact O-CG2 3.24Å; V210-V214 PolarHBondContact O-N 3.45Å; E211-V214 PolarHBondContact O-N 3.31Å; V214-M217 PolarHBondContact O-N 2.87Å; V214-R218 WeakPolarHBondContact O-CG 3.44Å; V214-R218 PolarHBondContact O-N 3.25Å
215R93Very high92.2Very high81 Ų8193.8 Ų93.831%0.30647%0.469SS..Hα-helixtrans-60.3-48.5174-82.3-167.3-91.8139.1-11.9111.8E211 M217 R218 L219E211-R215 WeakPolarHBondContact O-CB 3.24Å; E211-R215 WeakPolarHBondContact O-CG 3.34Å; E211-R215 PolarHBondContact O-N 3.06Å; E211-R215 IonicContact OE1-CZ 3.77Å; E211-R215 IonicContact OE1-NE 3.11Å; E211-R215 PolarHBondContact OE1-NE 3.31Å; E211-R215 IonicContact OE1-NH2 2.74Å; E211-R215 PolarHBondContact OE1-NH2 2.84Å; R215-M217 PolarHBondContact O-N 3.12Å; R215-R218 PolarHBondContact O-N 3.29Å; R215-R218 VanDerWaalsContact O-N 3.17Å; R215-L219 WeakPolarHBondContact O-CG 3.39Å; R215-L219 PolarHBondContact O-N 2.99Å
216R92.5Very high92Very high45 Ų4592.7 Ų92.717%0.1746%0.459CS..Hα-helixtrans-53.4-53.2173.3178.6109.473.2-136.45.1111R212 A213 R218 L219 D220 Y223R212-R216 PolarHBondContact O-N 3.41Å; A213-R216 PolarHBondContact O-N 3.48Å; R216-R218 PolarHBondContact O-N 3.28Å; R216-R218 VanDerWaalsContact O-N 3.16Å; R216-L219 PolarHBondContact O-N 3.36Å; R216-D220 WeakPolarHBondContact CD-OD2 3.39Å; R216-D220 WeakPolarHBondContact CG-OD2 3.49Å; R216-D220 WeakPolarHBondContact O-CB 3.31Å; R216-D220 PolarHBondContact O-N 3.43Å; R216-Y223 HydrophobicContact CB-CD1 4.35Å; R216-Y223 HydrophobicContact CB-CE1 4.45Å; R216-Y223 HydrophobicContact CG-CD1 3.47Å; R216-Y223 VanDerWaalsContact CG-CD1 3.47Å; R216-Y223 HydrophobicContact CG-CD2 3.64Å; R216-Y223 HydrophobicContact CG-CE1 3.77Å; R216-Y223 HydrophobicContact CG-CE2 3.92Å; R216-Y223 HydrophobicContact CG-CG 3.39Å
217M91.8Very high91.9Very high97 Ų9795.5 Ų95.548%0.47846%0.464SS..Hα-helixtrans-61.9-23.6-179.1-167.4179.47500114.2A213 V214 R215 Y223 P225A213-M217 WeakPolarHBondContact O-CB 3.31Å; A213-M217 PolarHBondContact O-N 3.1Å; V214-M217 PolarHBondContact O-N 2.87Å; R215-M217 PolarHBondContact O-N 3.12Å; M217-Y223 HydrophobicContact CB-CD1 4.33Å; M217-P225 HydrophobicContact SD-CG 4.46Å
218R90.7Very high91.7Very high196 Ų19693.1 Ų93.174%0.7446%0.46SS*.Hα-helixtrans-89.3-33.5177.4-74.3176.1176172.4-0.7114V214 R215 R216V214-R218 WeakPolarHBondContact O-CG 3.44Å; V214-R218 PolarHBondContact O-N 3.25Å; R215-R218 PolarHBondContact O-N 3.29Å; R215-R218 VanDerWaalsContact O-N 3.17Å; R216-R218 PolarHBondContact O-N 3.28Å; R216-R218 VanDerWaalsContact O-N 3.16Å
219L91.3Very high91.4Very high134 Ų13492.6 Ų92.670%0.70246%0.459SS*.Hα-helixtrans-92.6-39.6-175.3-63.6174.5000112.1R215 R216 I221R215-L219 WeakPolarHBondContact O-CG 3.39Å; R215-L219 PolarHBondContact O-N 2.99Å; R216-L219 PolarHBondContact O-N 3.36Å; L219-I221 PolarHBondContact O-N 2.96Å
220D89.8Confident91.1Very high72 Ų7291.7 Ų91.739%0.38546%0.461SS..  trans-93.692.2-175-59.5-30.5000109.9R216 S222 Y223R216-D220 WeakPolarHBondContact CD-OD2 3.39Å; R216-D220 WeakPolarHBondContact CG-OD2 3.49Å; R216-D220 WeakPolarHBondContact O-CB 3.31Å; R216-D220 PolarHBondContact O-N 3.43Å; D220-S222 PolarHBondContact O-N 3.27Å; D220-Y223 WeakPolarHBondContact O-CB 3.21Å; D220-Y223 PolarHBondContact O-N 2.93Å
221I85.4Confident90.8Very high178 Ų17891.7 Ų91.791%0.91346%0.458SS*.THydrogen-bonded Turntrans-54.6-24.7179.4-60.7171.9000112.6L219L219-I221 PolarHBondContact O-N 2.96Å
222S87.3Confident90.6Very high110 Ų11090.4 Ų90.477%0.76945%0.453SS*.THydrogen-bonded Turntrans-88.9-7.4177.3610000114.8D220 D224D220-S222 PolarHBondContact O-N 3.27Å; S222-D224 PolarHBondContact O-N 3Å
223Y90.5Very high90.4Very high64 Ų6494.6 Ų94.625%0.25147%0.474SS..  trans-85.397.6-179.9-177.8-96.4000111.2R216 M217 D220 P225 A228R216-Y223 HydrophobicContact CB-CD1 4.35Å; R216-Y223 HydrophobicContact CB-CE1 4.45Å; R216-Y223 HydrophobicContact CG-CD1 3.47Å; R216-Y223 VanDerWaalsContact CG-CD1 3.47Å; R216-Y223 HydrophobicContact CG-CD2 3.64Å; R216-Y223 HydrophobicContact CG-CE1 3.77Å; R216-Y223 HydrophobicContact CG-CE2 3.92Å; R216-Y223 HydrophobicContact CG-CG 3.39Å; M217-Y223 HydrophobicContact CB-CD1 4.33Å; D220-Y223 WeakPolarHBondContact O-CB 3.21Å; D220-Y223 PolarHBondContact O-N 2.93Å; Y223-P225 HydrophobicContact CE1-CB 4.08Å; Y223-A228 HydrophobicContact CE2-CB 4.26Å
224D90.6Very high90.1Very high74 Ų7494.7 Ų94.740%0.39648%0.475SS..  trans-96.5117.4163.5170.120.6000109.6S222 N226 R227 A228S222-D224 PolarHBondContact O-N 3Å; D224-N226 VanDerWaalsContact C-N 3.27Å; D224-N226 PolarHBondContact O-N 2.85Å; D224-N226 VanDerWaalsContact OD1-CB 3.3Å; D224-N226 WeakPolarHBondContact OD1-CB 3.5Å; D224-N226 PolarHBondContact OD1-N 3.41Å; D224-R227 HydrophobicContact CB-CB 3.89Å; D224-R227 PolarHBondContact O-N 2.97Å; D224-R227 VanDerWaalsContact OD2-CB 3.27Å; D224-R227 WeakPolarHBondContact OD2-CB 3.3Å; D224-R227 PolarHBondContact OD2-N 3.23Å; D224-A228 PolarHBondContact O-N 2.97Å
225P91.1Very high89.8Confident50 Ų5094.9 Ų94.933%0.32547%0.472SS..Hα-helixtrans-63-31176.926.4-34.4000112.9M217 Y223 A228 I229M217-P225 HydrophobicContact SD-CG 4.46Å; Y223-P225 HydrophobicContact CE1-CB 4.08Å; P225-A228 PolarHBondContact O-N 3.29Å; P225-I229 WeakPolarHBondContact O-CD1 3.33Å; P225-I229 VanDerWaalsContact O-CG1 3.29Å; P225-I229 WeakPolarHBondContact O-CG1 3.36Å; P225-I229 PolarHBondContact O-N 2.97Å
226N91Very high89.5Confident90 Ų9098.2 Ų98.248%0.48149%0.485SS..Hα-helixtrans-66.4-48.1176.8179.626.7000110.3D224 A228 I229 Q230D224-N226 VanDerWaalsContact C-N 3.27Å; D224-N226 PolarHBondContact O-N 2.85Å; D224-N226 VanDerWaalsContact OD1-CB 3.3Å; D224-N226 WeakPolarHBondContact OD1-CB 3.5Å; D224-N226 PolarHBondContact OD1-N 3.41Å; N226-A228 VanDerWaalsContact C-N 3.33Å; N226-A228 PolarHBondContact O-N 2.97Å; N226-I229 WeakPolarHBondContact O-CB 3.5Å; N226-I229 PolarHBondContact O-N 2.91Å; N226-Q230 VanDerWaalsContact CG-NE2 3.32Å; N226-Q230 PolarHBondContact ND2-NE2 3.47Å; N226-Q230 WeakPolarHBondContact O-CG 3.38Å; N226-Q230 PolarHBondContact O-N 3.36Å; N226-Q230 PolarHBondContact OD1-NE2 3.3Å
227R91.7Very high89.1Confident153 Ų153100 Ų10058%0.57750%0.498SS*.Hα-helixtrans-59.5-40.7172-174173.9175.8-1620.9112.8D224 I229 Q230 D231D224-R227 HydrophobicContact CB-CB 3.89Å; D224-R227 PolarHBondContact O-N 2.97Å; D224-R227 VanDerWaalsContact OD2-CB 3.27Å; D224-R227 WeakPolarHBondContact OD2-CB 3.3Å; D224-R227 PolarHBondContact OD2-N 3.23Å; R227-I229 VanDerWaalsContact C-N 3.29Å; R227-I229 PolarHBondContact O-N 3.5Å; R227-Q230 PolarHBondContact O-N 3.47Å; R227-D231 IonicContact NE-OD2 3.31Å; R227-D231 WeakPolarHBondContact O-CB 3.48Å; R227-D231 PolarHBondContact O-N 3.09Å
228A90.2Very high88.7Confident43 Ų43100.2 Ų100.236%0.35551%0.506SS..Hα-helixtrans-61.4-36.1176.100000112.7Y223 D224 P225 N226 N232Y223-A228 HydrophobicContact CE2-CB 4.26Å; D224-A228 PolarHBondContact O-N 2.97Å; P225-A228 PolarHBondContact O-N 3.29Å; N226-A228 VanDerWaalsContact C-N 3.33Å; N226-A228 PolarHBondContact O-N 2.97Å; A228-N232 PolarHBondContact O-N 3.02Å
229I89.4Confident88.5Confident84 Ų8493.2 Ų93.243%0.43149%0.487SS..Hα-helixtrans-67.1-47.7172-67.8162.2000110.5P225 N226 R227 D231 N232 F235P225-I229 WeakPolarHBondContact O-CD1 3.33Å; P225-I229 VanDerWaalsContact O-CG1 3.29Å; P225-I229 WeakPolarHBondContact O-CG1 3.36Å; P225-I229 PolarHBondContact O-N 2.97Å; N226-I229 WeakPolarHBondContact O-CB 3.5Å; N226-I229 PolarHBondContact O-N 2.91Å; R227-I229 VanDerWaalsContact C-N 3.29Å; R227-I229 PolarHBondContact O-N 3.5Å; I229-D231 VanDerWaalsContact C-N 3.33Å; I229-D231 PolarHBondContact O-N 3.2Å; I229-N232 WeakPolarHBondContact O-CB 3.5Å; I229-N232 PolarHBondContact O-N 2.71Å; I229-N232 VanDerWaalsContact O-N 3.14Å; I229-F235 HydrophobicContact CG2-CB 4.08Å; I229-F235 HydrophobicContact CG2-CD1 3.9Å; I229-F235 HydrophobicContact CG2-CD2 4.24Å; I229-F235 HydrophobicContact CG2-CE1 4.37Å; I229-F235 HydrophobicContact CG2-CG 3.82Å
230Q88.6Confident88.4Confident109 Ų10987.9 Ų87.951%0.50946%0.459SS..Hα-helixtrans-64.6-32.7179.8-67.817431.400113.4N226 R227 N232 R236N226-Q230 VanDerWaalsContact CG-NE2 3.32Å; N226-Q230 PolarHBondContact ND2-NE2 3.47Å; N226-Q230 WeakPolarHBondContact O-CG 3.38Å; N226-Q230 PolarHBondContact O-N 3.36Å; N226-Q230 PolarHBondContact OD1-NE2 3.3Å; R227-Q230 PolarHBondContact O-N 3.47Å; Q230-N232 VanDerWaalsContact C-N 3.29Å; Q230-R236 WeakPolarHBondContact O-CG 3.5Å; Q230-R236 PolarHBondContact O-NE 2.85Å
231D89.6Confident88.4Confident81 Ų8191.8 Ų91.843%0.43347%0.47SS..Hα-helixtrans-76.6-16.5176.5-79.5-32.5000113.2R227 I229 K233 R236R227-D231 IonicContact NE-OD2 3.31Å; R227-D231 WeakPolarHBondContact O-CB 3.48Å; R227-D231 PolarHBondContact O-N 3.09Å; I229-D231 VanDerWaalsContact C-N 3.33Å; I229-D231 PolarHBondContact O-N 3.2Å; D231-K233 PolarHBondContact O-N 3.05Å; D231-R236 IonicContact OD1-CZ 3.9Å; D231-R236 IonicContact OD1-NH2 2.71Å; D231-R236 PolarHBondContact OD1-NH2 3.28Å
232N89.9Confident88.7Confident47 Ų4788.7 Ų88.725%0.25145%0.451SS..SBendtrans-75.4121.4177.4-170.7-27.1000112.1M130 A228 I229 Q230 A234 F235 R236M130-N232 WeakPolarHBondContact CE-ND2 3.44Å; M130-N232 PolarHBondContact SD-ND2 3.18Å; A228-N232 PolarHBondContact O-N 3.02Å; I229-N232 WeakPolarHBondContact O-CB 3.5Å; I229-N232 PolarHBondContact O-N 2.71Å; I229-N232 VanDerWaalsContact O-N 3.14Å; Q230-N232 VanDerWaalsContact C-N 3.29Å; N232-A234 PolarHBondContact O-N 2.95Å; N232-A234 VanDerWaalsContact O-N 3.1Å; N232-A234 WeakPolarHBondContact OD1-CB 3.23Å; N232-A234 PolarHBondContact OD1-N 2.88Å; N232-F235 HydrophobicContact CB-CD2 3.99Å; N232-F235 PolarHBondContact O-N 2.8Å; N232-R236 PolarHBondContact O-N 2.84Å
233K89.2Confident88.9Confident182 Ų18287.1 Ų87.179%0.79143%0.431SS*.THydrogen-bonded Turntrans-56.2-28.7-179.4-65.8179.6-177.5-67.40113.9D231 F235D231-K233 PolarHBondContact O-N 3.05Å; K233-F235 VanDerWaalsContact C-N 3.3Å; K233-F235 PolarHBondContact O-N 3.46Å
234A85Confident89Confident52 Ų5285.8 Ų85.843%0.4343%0.428SS..THydrogen-bonded Turntrans-67.2-29.8178.100000113.1M130 N232M130-A234 HydrophobicContact CE-CB 4.37Å; N232-A234 PolarHBondContact O-N 2.95Å; N232-A234 VanDerWaalsContact O-N 3.1Å; N232-A234 WeakPolarHBondContact OD1-CB 3.23Å; N232-A234 PolarHBondContact OD1-N 2.88Å
235F87.1Confident89Confident51 Ų5184 Ų8422%0.22442%0.418CS..THydrogen-bonded Turntrans-97.4-9.3-179.4-67.7-90.9000113.5L127 M130 I229 N232 K233 N237L127-F235 HydrophobicContact CD2-CE1 4.28Å; L127-F235 HydrophobicContact CD2-CZ 3.73Å; M130-F235 HydrophobicContact CE-CE2 4.28Å; I229-F235 HydrophobicContact CG2-CB 4.08Å; I229-F235 HydrophobicContact CG2-CD1 3.9Å; I229-F235 HydrophobicContact CG2-CD2 4.24Å; I229-F235 HydrophobicContact CG2-CE1 4.37Å; I229-F235 HydrophobicContact CG2-CG 3.82Å; N232-F235 HydrophobicContact CB-CD2 3.99Å; N232-F235 PolarHBondContact O-N 2.8Å; K233-F235 VanDerWaalsContact C-N 3.3Å; K233-F235 PolarHBondContact O-N 3.46Å; F235-N237 VanDerWaalsContact C-N 3.33Å; F235-N237 PolarHBondContact O-N 2.92Å
236R86.1Confident89.1Confident151 Ų15187.4 Ų87.457%0.5743%0.433SS*.SBendtrans-77.6-10.7179.5-75.8-176.3173.8-150.63.2114.9Q230 D231 N232 P238Q230-R236 WeakPolarHBondContact O-CG 3.5Å; Q230-R236 PolarHBondContact O-NE 2.85Å; D231-R236 IonicContact OD1-CZ 3.9Å; D231-R236 IonicContact OD1-NH2 2.71Å; D231-R236 PolarHBondContact OD1-NH2 3.28Å; N232-R236 PolarHBondContact O-N 2.84Å; R236-P238 WeakPolarHBondContact O-CD 3.31Å
237N84.8Confident89.2Confident83 Ų8390.3 Ų90.344%0.44444%0.442SS..SBendtrans-83.1120.2175.6177.44.4000109.2F235 S239 I240F235-N237 VanDerWaalsContact C-N 3.33Å; F235-N237 PolarHBondContact O-N 2.92Å; N237-S239 PolarHBondContact ND2-OG 3.47Å; N237-S239 PolarHBondContact O-N 3.01Å; N237-S239 VanDerWaalsContact O-N 3.09Å; N237-S239 PolarHBondContact OD1-N 3.02Å; N237-S239 PolarHBondContact OD1-OG 3.1Å; N237-I240 VanDerWaalsContact O-CB 3.31Å; N237-I240 WeakPolarHBondContact O-CB 3.49Å; N237-I240 WeakPolarHBondContact O-CG2 3.14Å; N237-I240 PolarHBondContact O-N 3.37Å
238P83.7Confident89.3Confident101 Ų10188.1 Ų88.166%0.65644%0.441SS*.THydrogen-bonded Turntrans-52.5-33.4177.6-27.435.7000113.8R236 I240 Y241R236-P238 WeakPolarHBondContact O-CD 3.31Å; P238-I240 PolarHBondContact O-N 3.14Å; P238-Y241 PolarHBondContact O-N 3.45Å
239S86.6Confident89.5Confident49 Ų4994.9 Ų94.934%0.34346%0.463SS..THydrogen-bonded Turntrans-71.27.5177.796.80000114.2N237N237-S239 PolarHBondContact ND2-OG 3.47Å; N237-S239 PolarHBondContact O-N 3.01Å; N237-S239 VanDerWaalsContact O-N 3.09Å; N237-S239 PolarHBondContact OD1-N 3.02Å; N237-S239 PolarHBondContact OD1-OG 3.1Å
240I89.7Confident89.7Confident21 Ų2195 Ų9511%0.10846%0.463CS..Hα-helixtrans-77.5-29.1170.1-161.259000111.2N237 P238 K243 L244N237-I240 VanDerWaalsContact O-CB 3.31Å; N237-I240 WeakPolarHBondContact O-CB 3.49Å; N237-I240 WeakPolarHBondContact O-CG2 3.14Å; N237-I240 PolarHBondContact O-N 3.37Å; P238-I240 PolarHBondContact O-N 3.14Å; I240-K243 PolarHBondContact O-N 2.84Å; I240-L244 HydrophobicContact CG1-CD1 4.14Å; I240-L244 HydrophobicContact CG1-CG 4.36Å; I240-L244 HydrophobicContact CG2-CD1 4.41Å; I240-L244 VanDerWaalsContact O-CG 3.32Å; I240-L244 WeakPolarHBondContact O-CG 3.4Å; I240-L244 PolarHBondContact O-N 3.39Å
241Y89.5Confident89.9Confident154 Ų15493 Ų9360%0.60446%0.456SS*.Hα-helixtrans-66.6-45.7-177.5-65.2-48.3000111.8P238 K243 L244 I245P238-Y241 PolarHBondContact O-N 3.45Å; Y241-K243 VanDerWaalsContact C-N 3.25Å; Y241-K243 PolarHBondContact O-N 2.96Å; Y241-L244 HydrophobicContact CD1-CD1 4.27Å; Y241-L244 CarbonylContact O-C 3.6Å; Y241-L244 WeakPolarHBondContact O-CA 3.1Å; Y241-L244 WeakPolarHBondContact O-CB 3.47Å; Y241-L244 PolarHBondContact O-N 2.93Å; Y241-I245 WeakPolarHBondContact O-CG1 3.42Å; Y241-I245 PolarHBondContact O-N 3.28Å
242E91.6Very high90Very high114 Ų11496.1 Ų96.153%0.53347%0.468SS..Hα-helixtrans-46.5-49.8170.2-49.5-55.4135.500111.8L244 I245 D246E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 3.13Å; E242-I245 WeakPolarHBondContact O-CB 3.32Å; E242-I245 PolarHBondContact O-N 3.35Å; E242-D246 PolarHBondContact O-N 3.19Å
243K91.5Very high90.1Very high76 Ų76100.3 Ų100.333%0.3348%0.484SS..Hα-helixtrans-69.4-29.5-179.3-69.4168.2176.2171.30113.3F125 I240 Y241 F247F125-K243 HydrophobicContact CD2-CD 4.02Å; F125-K243 HydrophobicContact CE1-CD 4.39Å; F125-K243 HydrophobicContact CE2-CD 3.58Å; F125-K243 HydrophobicContact CE2-CG 4.45Å; F125-K243 HydrophobicContact CZ-CD 3.83Å; I240-K243 PolarHBondContact O-N 2.84Å; Y241-K243 VanDerWaalsContact C-N 3.25Å; Y241-K243 PolarHBondContact O-N 2.96Å; K243-F247 WeakPolarHBondContact O-CB 3.36Å; K243-F247 PolarHBondContact O-N 3.28Å
244L91.6Very high90.1Very high37 Ų3793 Ų9319%0.19446%0.459CS..Hα-helixtrans-75.9-37175.4-72.1168.3000111I240 Y241 E242 L248I240-L244 HydrophobicContact CG1-CD1 4.14Å; I240-L244 HydrophobicContact CG1-CG 4.36Å; I240-L244 HydrophobicContact CG2-CD1 4.41Å; I240-L244 VanDerWaalsContact O-CG 3.32Å; I240-L244 WeakPolarHBondContact O-CG 3.4Å; I240-L244 PolarHBondContact O-N 3.39Å; Y241-L244 HydrophobicContact CD1-CD1 4.27Å; Y241-L244 CarbonylContact O-C 3.6Å; Y241-L244 WeakPolarHBondContact O-CA 3.1Å; Y241-L244 WeakPolarHBondContact O-CB 3.47Å; Y241-L244 PolarHBondContact O-N 2.93Å; E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 3.13Å; L244-L248 WeakPolarHBondContact O-CB 3.24Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.32Å; L244-L248 PolarHBondContact O-N 2.93Å
245I92.4Very high90.4Very high35 Ų3593.3 Ų93.318%0.17946%0.457CS..Hα-helixtrans-59.8-53.3172.1-68.6161.2000109.3Y241 E242 F247 K249 I250 E252Y241-I245 WeakPolarHBondContact O-CG1 3.42Å; Y241-I245 PolarHBondContact O-N 3.28Å; E242-I245 WeakPolarHBondContact O-CB 3.32Å; E242-I245 PolarHBondContact O-N 3.35Å; I245-F247 PolarHBondContact O-N 3.03Å; I245-K249 WeakPolarHBondContact O-CA 3.06Å; I245-K249 PolarHBondContact O-N 3.42Å; I245-I250 HydrophobicContact CG2-CB 4.35Å; I245-I250 WeakPolarHBondContact CG2-O 3.47Å; I245-I250 PolarHBondContact O-N 3.28Å; I245-E252 HydrophobicContact CD1-CG 4.15Å; I245-E252 HydrophobicContact CG2-CG 3.67Å
246D92.9Very high90.6Very high123 Ų12399.3 Ų99.366%0.65849%0.491SS*.Hα-helixtrans-57.2-50.8175.7-75.5-25.9000112.6E242 K249E242-D246 PolarHBondContact O-N 3.19Å; D246-K249 PolarHBondContact O-N 3.38Å
247F93.1Very high90.8Very high150 Ų15098.5 Ų98.566%0.65849%0.492SS*.Hα-helixtrans-67.5-40.4-174.1177.3-100.1000112.8K243 I245 K249K243-F247 WeakPolarHBondContact O-CB 3.36Å; K243-F247 PolarHBondContact O-N 3.28Å; I245-F247 PolarHBondContact O-N 3.03Å; F247-K249 VanDerWaalsContact C-N 3.31Å
248L93.9Very high91Very high107 Ų10798.2 Ų98.256%0.5650%0.496SS*.Hα-helixtrans-85.5-6177.9-61.3173.9000112.6L244 I250L244-L248 WeakPolarHBondContact O-CB 3.24Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.32Å; L244-L248 PolarHBondContact O-N 2.93Å; L248-I250 VanDerWaalsContact C-N 3.3Å; L248-I250 HydrophobicContact CB-CD1 3.89Å; L248-I250 HydrophobicContact CB-CG1 3.83Å; L248-I250 HydrophobicContact CD1-CD1 3.92Å; L248-I250 PolarHBondContact O-N 3.38Å
249K94Very high91.2Very high186 Ų18698.7 Ų98.781%0.80950%0.498SS*.THydrogen-bonded Turntrans54.645-175.2-54.6-179.1-178.8-178.40112.2I245 D246 F247I245-K249 WeakPolarHBondContact O-CA 3.06Å; I245-K249 PolarHBondContact O-N 3.42Å; D246-K249 PolarHBondContact O-N 3.38Å; F247-K249 VanDerWaalsContact C-N 3.31Å
250I92.4Very high91.5Very high87 Ų87102.9 Ų102.945%0.44652%0.516SS..  trans-74.6126.6177.4-66166.1000108.2I245 L248 E252I245-I250 HydrophobicContact CG2-CB 4.35Å; I245-I250 WeakPolarHBondContact CG2-O 3.47Å; I245-I250 PolarHBondContact O-N 3.28Å; L248-I250 VanDerWaalsContact C-N 3.3Å; L248-I250 HydrophobicContact CB-CD1 3.89Å; L248-I250 HydrophobicContact CB-CG1 3.83Å; L248-I250 HydrophobicContact CD1-CD1 3.92Å; L248-I250 PolarHBondContact O-N 3.38Å; I250-E252 PolarHBondContact O-N 2.99Å
251D92.7Very high91.6Very high66 Ų66107.6 Ų107.635%0.35354%0.54SS..  trans-76.3108.8164.6172.28.9000108.7K253 G254 Y265D251-K253 PolarHBondContact O-N 3.08Å; D251-K253 PolarHBondContact OD1-N 3.29Å; D251-G254 VanDerWaalsContact CG-CA 3.43Å; D251-G254 PolarHBondContact O-N 3.45Å; D251-G254 VanDerWaalsContact O-N 3.09Å; D251-G254 PolarHBondContact OD1-N 3.01Å; D251-G254 WeakPolarHBondContact OD2-CA 3.46Å; D251-G254 PolarHBondContact OD2-N 3.38Å; D251-Y265 PolarHBondContact OD1-OH 3.32Å; D251-Y265 WeakPolarHBondContact OD2-CE2 3.43Å
252E92.1Very high91.7Very high146 Ų146105.4 Ų105.468%0.68253%0.532SS*.THydrogen-bonded Turntrans-62.4-26.5-178.7-61.5-177.7-90.300114.1I245 I250I245-E252 HydrophobicContact CD1-CG 4.15Å; I245-E252 HydrophobicContact CG2-CG 3.67Å; I250-E252 PolarHBondContact O-N 2.99Å
253K92.2Very high91.7Very high136 Ų136102.6 Ų102.659%0.59152%0.52SS*.THydrogen-bonded Turntrans-95.9-12.7177.1-61.5-178-178.6178.20111.7D251 Y262 P264 Y265D251-K253 PolarHBondContact O-N 3.08Å; D251-K253 PolarHBondContact OD1-N 3.29Å; K253-Y262 WeakPolarHBondContact O-CE1 3.43Å; K253-P264 HydrophobicContact CB-CB 3.8Å; K253-P264 HydrophobicContact CB-CG 4.03Å; K253-P264 WeakPolarHBondContact O-CG 3.16Å; K253-Y265 HydrophobicContact CD-CE1 4.47Å
254G89.9Confident91.7Very high27 Ų27100.4 Ų100.428%0.27851%0.514SS..  trans-66.7167.4-178.300000112.7D251D251-G254 VanDerWaalsContact CG-CA 3.43Å; D251-G254 PolarHBondContact O-N 3.45Å; D251-G254 VanDerWaalsContact O-N 3.09Å; D251-G254 PolarHBondContact OD1-N 3.01Å; D251-G254 WeakPolarHBondContact OD2-CA 3.46Å; D251-G254 PolarHBondContact OD2-N 3.38Å
255T90.3Very high91.7Very high60 Ų60105.3 Ų105.337%0.36853%0.531SS..  trans-135.7168.3171.269.20000109.4F257 Y262T255-F257 HydrophobicContact CG2-CD2 4.49Å; T255-F257 PolarHBondContact O-N 3.37Å; T255-F257 WeakPolarHBondContact OG1-CB 3.33Å; T255-F257 PolarHBondContact OG1-N 3.18Å; T255-Y262 HydrophobicContact CG2-CD1 3.43Å; T255-Y262 VanDerWaalsContact CG2-CD1 3.43Å; T255-Y262 HydrophobicContact CG2-CE1 3.58Å; T255-Y262 HydrophobicContact CG2-CG 4.12Å
256N91.6Very high91.7Very high177 Ų177112.3 Ų112.395%0.94756%0.555SS**SBendtrans-77.77.4170.2-61.9-46.2000112.9
257F90.4Very high91.7Very high133 Ų133114.6 Ų114.658%0.58355%0.554SS**SBendtrans-89149.3172-59.2-69.9000110.6T255 I261T255-F257 HydrophobicContact CG2-CD2 4.49Å; T255-F257 PolarHBondContact O-N 3.37Å; T255-F257 WeakPolarHBondContact OG1-CB 3.33Å; T255-F257 PolarHBondContact OG1-N 3.18Å; F257-I261 HydrophobicContact CB-CB 4.11Å; F257-I261 HydrophobicContact CB-CG2 4.08Å; F257-I261 HydrophobicContact CD1-CD1 4.4Å; F257-I261 HydrophobicContact CD1-CG2 4.38Å; F257-I261 HydrophobicContact CG-CG2 4.22Å
258S88.3Confident91.6Very high78 Ų78110.8 Ų110.855%0.54554%0.544SS..  trans-63152.6171.7-63.30000111.6D260 I261 Y262S258-D260 WeakPolarHBondContact CB-OD1 3.34Å; S258-D260 PolarHBondContact O-N 2.94Å; S258-D260 VanDerWaalsContact O-N 3.13Å; S258-I261 WeakPolarHBondContact O-CB 3.41Å; S258-I261 PolarHBondContact O-N 2.87Å; S258-Y262 PolarHBondContact O-N 3.37Å
259T89.6Confident91.5Very high111 Ų111109.9 Ų109.968%0.68154%0.544SS*.THydrogen-bonded Turntrans-67.9-10.8-173.951.80000114.9Y262T259-Y262 WeakPolarHBondContact CA-O 3.5Å
260D91.2Very high91.4Very high137 Ų137106.8 Ų106.873%0.73353%0.533SS*.THydrogen-bonded Turntrans-75.6-28.8168.263.7-41.3000112.8S258S258-D260 WeakPolarHBondContact CB-OD1 3.34Å; S258-D260 PolarHBondContact O-N 2.94Å; S258-D260 VanDerWaalsContact O-N 3.13Å
261I91.6Very high91.4Very high119 Ų119104.8 Ų104.861%0.6153%0.527SS*.THydrogen-bonded Turntrans-87.8-48.6176.1-59.4173.3000110.3F257 S258F257-I261 HydrophobicContact CB-CB 4.11Å; F257-I261 HydrophobicContact CB-CG2 4.08Å; F257-I261 HydrophobicContact CD1-CD1 4.4Å; F257-I261 HydrophobicContact CD1-CG2 4.38Å; F257-I261 HydrophobicContact CG-CG2 4.22Å; S258-I261 WeakPolarHBondContact O-CB 3.41Å; S258-I261 PolarHBondContact O-N 2.87Å
262Y92.1Very high91.5Very high108 Ų108108.1 Ų108.142%0.42454%0.535SS..  trans-146.4118.7-179.1-177.4-91.4000111.3K253 T255 S258 T259 P264K253-Y262 WeakPolarHBondContact O-CE1 3.43Å; T255-Y262 HydrophobicContact CG2-CD1 3.43Å; T255-Y262 VanDerWaalsContact CG2-CD1 3.43Å; T255-Y262 HydrophobicContact CG2-CE1 3.58Å; T255-Y262 HydrophobicContact CG2-CG 4.12Å; S258-Y262 PolarHBondContact O-N 3.37Å; T259-Y262 WeakPolarHBondContact CA-O 3.5Å; Y262-P264 HydrophobicContact CE1-CB 3.78Å; Y262-P264 HydrophobicContact CE1-CG 3.94Å
263D92.4Very high91.7Very high55 Ų55109.6 Ų109.629%0.29454%0.536SS..  trans-126.7108.2172.5172.814.4000109Y265 R266D263-Y265 PolarHBondContact O-N 3.24Å; D263-Y265 WeakPolarHBondContact OD1-CA 3.48Å; D263-Y265 WeakPolarHBondContact OD1-CB 3.46Å; D263-Y265 PolarHBondContact OD1-N 3.38Å; D263-R266 HydrophobicContact CB-CB 4.09Å; D263-R266 WeakPolarHBondContact O-CB 3.1Å; D263-R266 PolarHBondContact O-N 3.3Å; D263-R266 PolarHBondContact OD1-N 3.16Å; D263-R266 WeakPolarHBondContact OD2-CA 3.44Å; D263-R266 WeakPolarHBondContact OD2-CB 3.3Å; D263-R266 PolarHBondContact OD2-N 3.38Å
264P91.8Very high91.9Very high31 Ų31107.4 Ų107.420%0.20153%0.527CS..THydrogen-bonded Turntrans-70.5-14.8178.629.9-33.3000112.8K253 Y262K253-P264 HydrophobicContact CB-CB 3.8Å; K253-P264 HydrophobicContact CB-CG 4.03Å; K253-P264 WeakPolarHBondContact O-CG 3.16Å; Y262-P264 HydrophobicContact CE1-CB 3.78Å; Y262-P264 HydrophobicContact CE1-CG 3.94Å
265Y91.5Very high92.2Very high140 Ų140109.1 Ų109.155%0.54953%0.528SS..THydrogen-bonded Turntrans-103.88.3-177.4-59.7-69.2000113.6D251 K253 D263 W267D251-Y265 PolarHBondContact OD1-OH 3.32Å; D251-Y265 WeakPolarHBondContact OD2-CE2 3.43Å; K253-Y265 HydrophobicContact CD-CE1 4.47Å; D263-Y265 PolarHBondContact O-N 3.24Å; D263-Y265 WeakPolarHBondContact OD1-CA 3.48Å; D263-Y265 WeakPolarHBondContact OD1-CB 3.46Å; D263-Y265 PolarHBondContact OD1-N 3.38Å; Y265-W267 PolarHBondContact O-N 3.47Å
266R91.8Very high92.5Very high182 Ų182111 Ų11169%0.68754%0.535SS*.  trans-60.5-18-177.5-162.7177.5175.4-75.7-2114.8D263 T268D263-R266 HydrophobicContact CB-CB 4.09Å; D263-R266 WeakPolarHBondContact O-CB 3.1Å; D263-R266 PolarHBondContact O-N 3.3Å; D263-R266 PolarHBondContact OD1-N 3.16Å; D263-R266 WeakPolarHBondContact OD2-CA 3.44Å; D263-R266 WeakPolarHBondContact OD2-CB 3.3Å; D263-R266 PolarHBondContact OD2-N 3.38Å; R266-T268 PolarHBondContact O-N 3.48Å
267W92Very high92.7Very high170 Ų170104.1 Ų104.164%0.64450%0.504SS*.  trans-78111.3-176.5-62.7117.3000112.1Y265Y265-W267 PolarHBondContact O-N 3.47Å
268T92Very high92.9Very high70 Ų70102.3 Ų102.343%0.42950%0.495SS..  trans-75.2162.9174.970.90000111.6R266 Q270 S271 Y272R266-T268 PolarHBondContact O-N 3.48Å; T268-Q270 VanDerWaalsContact CB-OE1 3.3Å; T268-Q270 PolarHBondContact O-N 2.63Å; T268-Q270 PolarHBondContact OG1-OE1 3.19Å; T268-S271 PolarHBondContact N-OG 2.74Å; T268-S271 VanDerWaalsContact O-CB 3.23Å; T268-S271 WeakPolarHBondContact O-CB 3.2Å; T268-S271 PolarHBondContact O-N 2.96Å; T268-S271 PolarHBondContact O-OG 3.47Å; T268-Y272 WeakPolarHBondContact O-CD2 3.34Å
269P91.7Very high93.2Very high88 Ų88102.5 Ų102.557%0.57149%0.493SS*.G310 helixtrans-49.4-31.7176.6-32.238.2000115.2S271 Y272 E275P269-S271 PolarHBondContact O-N 3.2Å; P269-Y272 PolarHBondContact O-N 2.93Å; P269-E275 WeakPolarHBondContact O-CG 3.48Å
270Q91.7Very high93.4Very high121 Ų121102.5 Ų102.557%0.56549%0.486SS*.G310 helixtrans-72.3-11.3178.6-58.87523.800113.9T268 L276T268-Q270 VanDerWaalsContact CB-OE1 3.3Å; T268-Q270 PolarHBondContact O-N 2.63Å; T268-Q270 PolarHBondContact OG1-OE1 3.19Å; Q270-L276 WeakPolarHBondContact O-CD2 3.49Å
271S93Very high93.7Very high46 Ų46100.4 Ų100.432%0.32247%0.474SS..G310 helixtrans-88.4-14.6178.9-49.20000112.8T268 P269 L276T268-S271 PolarHBondContact N-OG 2.74Å; T268-S271 VanDerWaalsContact O-CB 3.23Å; T268-S271 WeakPolarHBondContact O-CB 3.2Å; T268-S271 PolarHBondContact O-N 2.96Å; T268-S271 PolarHBondContact O-OG 3.47Å; P269-S271 PolarHBondContact O-N 3.2Å; S271-L276 WeakPolarHBondContact O-CD1 3.4Å
272Y94.6Very high93.8Very high135 Ų135102.1 Ų102.153%0.52947%0.473SS..SBendtrans-79.7152.4179.4-65.3-94.5000111.1T268 P269 E274 E275 L276T268-Y272 WeakPolarHBondContact O-CD2 3.34Å; P269-Y272 PolarHBondContact O-N 2.93Å; Y272-E274 PolarHBondContact O-N 3.37Å; Y272-E274 VanDerWaalsContact O-N 3.1Å; Y272-E275 PolarHBondContact O-N 2.94Å; Y272-E275 VanDerWaalsContact O-N 3.15Å; Y272-L276 PolarHBondContact O-N 3.1Å
273Y96.6Very high93.9Very high177 Ų177101.2 Ų101.269%0.69447%0.473SS*.Hα-helixtrans-54.2-35.9-172.175.8-86.9000113.8L276 A277Y273-L276 PolarHBondContact O-N 2.86Å; Y273-A277 VanDerWaalsContact O-CB 3.24Å; Y273-A277 WeakPolarHBondContact O-CB 3.27Å; Y273-A277 PolarHBondContact O-N 2.99Å
274E95.9Very high94Very high90 Ų90101.8 Ų101.842%0.42148%0.475SS..Hα-helixtrans-60.2-48.8178.9-73.1-67.7179.800113.1Y272 A277 K278Y272-E274 PolarHBondContact O-N 3.37Å; Y272-E274 VanDerWaalsContact O-N 3.1Å; E274-A277 PolarHBondContact O-N 3.45Å; E274-K278 WeakPolarHBondContact O-CB 3.37Å; E274-K278 WeakPolarHBondContact O-CG 3.29Å; E274-K278 PolarHBondContact O-N 3.26Å
275E95.6Very high94.2Very high64 Ų64104.5 Ų104.530%0.29949%0.488SS..Hα-helixtrans-73-35.9-179.9-68.9-53.7129.200111.5P269 Y272 K278 V279P269-E275 WeakPolarHBondContact O-CG 3.48Å; Y272-E275 PolarHBondContact O-N 2.94Å; Y272-E275 VanDerWaalsContact O-N 3.15Å; E275-K278 PolarHBondContact O-N 2.94Å; E275-K278 WeakPolarHBondContact OE1-CD 3.47Å; E275-K278 IonicContact OE1-NZ 2.68Å; E275-K278 PolarHBondContact OE1-NZ 3.37Å; E275-V279 WeakPolarHBondContact O-CB 3.5Å; E275-V279 VanDerWaalsContact O-CG2 3.3Å; E275-V279 WeakPolarHBondContact O-CG2 3.46Å; E275-V279 PolarHBondContact O-N 2.95Å
276L96Very high94.3Very high98 Ų98104.8 Ų104.851%0.51349%0.488SS..Hα-helixtrans-60.8-45.5172.1-65176.2000111.4Q270 S271 Y272 Y273 V279 Q280Q270-L276 WeakPolarHBondContact O-CD2 3.49Å; S271-L276 WeakPolarHBondContact O-CD1 3.4Å; Y272-L276 PolarHBondContact O-N 3.1Å; Y273-L276 PolarHBondContact O-N 2.86Å; L276-V279 PolarHBondContact O-N 3.09Å; L276-Q280 WeakPolarHBondContact O-CB 2.87Å; L276-Q280 PolarHBondContact O-N 3.02Å
277A95.8Very high94.4Very high34 Ų34100 Ų10028%0.28148%0.476SS..Hα-helixtrans-63.9-42.8176.500000111.9Y273 E274 V279 Q280 N281Y273-A277 VanDerWaalsContact O-CB 3.24Å; Y273-A277 WeakPolarHBondContact O-CB 3.27Å; Y273-A277 PolarHBondContact O-N 2.99Å; E274-A277 PolarHBondContact O-N 3.45Å; A277-V279 VanDerWaalsContact C-N 3.34Å; A277-V279 PolarHBondContact O-N 3.09Å; A277-Q280 PolarHBondContact O-N 3.42Å; A277-N281 VanDerWaalsContact O-CB 3.26Å; A277-N281 WeakPolarHBondContact O-CB 3.3Å; A277-N281 PolarHBondContact O-N 2.94Å; A277-N281 PolarHBondContact O-ND2 3.48Å
278K95.6Very high94.4Very high94 Ų9496.3 Ų96.341%0.40947%0.466SS..Hα-helixtrans-60.8-40.5174.3-71.3165.9-160.3172.70112.2E274 E275 R282E274-K278 WeakPolarHBondContact O-CB 3.37Å; E274-K278 WeakPolarHBondContact O-CG 3.29Å; E274-K278 PolarHBondContact O-N 3.26Å; E275-K278 PolarHBondContact O-N 2.94Å; E275-K278 WeakPolarHBondContact OE1-CD 3.47Å; E275-K278 IonicContact OE1-NZ 2.68Å; E275-K278 PolarHBondContact OE1-NZ 3.37Å; K278-R282 VanDerWaalsContact O-CB 3.24Å; K278-R282 WeakPolarHBondContact O-CB 3.32Å; K278-R282 PolarHBondContact O-N 3.42Å; K278-R282 VanDerWaalsContact O-N 3.14Å
279V94Very high94.4Very high83 Ų8399 Ų9950%0.50347%0.472SS..Hα-helixtrans-67.8-46.2175.81710000111.1E275 L276 A277 R282 E283E275-V279 WeakPolarHBondContact O-CB 3.5Å; E275-V279 VanDerWaalsContact O-CG2 3.3Å; E275-V279 WeakPolarHBondContact O-CG2 3.46Å; E275-V279 PolarHBondContact O-N 2.95Å; L276-V279 PolarHBondContact O-N 3.09Å; A277-V279 VanDerWaalsContact C-N 3.34Å; A277-V279 PolarHBondContact O-N 3.09Å; V279-R282 PolarHBondContact O-N 3.03Å; V279-E283 PolarHBondContact O-N 3.33Å; V279-E283 VanDerWaalsContact O-N 3.09Å
280Q95Very high94.3Very high111 Ų11199.6 Ų99.652%0.51947%0.469SS..Hα-helixtrans-62-48.4178.8-177.7177-0.800111.9L276 A277 R282 E283 I284L276-Q280 WeakPolarHBondContact O-CB 2.87Å; L276-Q280 PolarHBondContact O-N 3.02Å; A277-Q280 PolarHBondContact O-N 3.42Å; Q280-R282 VanDerWaalsContact C-N 3.32Å; Q280-R282 PolarHBondContact O-N 3.17Å; Q280-E283 PolarHBondContact O-N 2.92Å; Q280-I284 HydrophobicContact CG-CD1 3.85Å; Q280-I284 HydrophobicContact CG-CG1 4.49Å; Q280-I284 WeakPolarHBondContact O-CG1 3.5Å; Q280-I284 PolarHBondContact O-N 3.16Å
281N95.9Very high94.2Very high92 Ų9299 Ų9949%0.49247%0.466SS..Hα-helixtrans-62.1-40.1178.4-71.1-18.8000111.5A277 E283 I284 D285A277-N281 VanDerWaalsContact O-CB 3.26Å; A277-N281 WeakPolarHBondContact O-CB 3.3Å; A277-N281 PolarHBondContact O-N 2.94Å; A277-N281 PolarHBondContact O-ND2 3.48Å; N281-E283 VanDerWaalsContact C-N 3.33Å; N281-E283 PolarHBondContact O-N 3.46Å; N281-I284 PolarHBondContact O-N 3.06Å; N281-D285 WeakPolarHBondContact O-CB 3.43Å; N281-D285 PolarHBondContact O-N 3.41Å
282R95.3Very high94.1Very high155 Ų155102.6 Ų102.659%0.58548%0.476SS*.Hα-helixtrans-61.3-39175.2-172.1-175.2-60.6115.2-0.3112.4K278 V279 Q280 R286K278-R282 VanDerWaalsContact O-CB 3.24Å; K278-R282 WeakPolarHBondContact O-CB 3.32Å; K278-R282 PolarHBondContact O-N 3.42Å; K278-R282 VanDerWaalsContact O-N 3.14Å; V279-R282 PolarHBondContact O-N 3.03Å; Q280-R282 VanDerWaalsContact C-N 3.32Å; Q280-R282 PolarHBondContact O-N 3.17Å; R282-R286 WeakPolarHBondContact O-CB 3.39Å; R282-R286 PolarHBondContact O-N 3.47Å; R282-R286 VanDerWaalsContact O-N 3.08Å
283E94.5Very high93.6Very high90 Ų90102.3 Ų102.342%0.42148%0.479SS..Hα-helixtrans-74.1-40.3176.6-172.656.6-15500112V279 Q280 N281 D285 R286 L287V279-E283 PolarHBondContact O-N 3.33Å; V279-E283 VanDerWaalsContact O-N 3.09Å; Q280-E283 PolarHBondContact O-N 2.92Å; N281-E283 VanDerWaalsContact C-N 3.33Å; N281-E283 PolarHBondContact O-N 3.46Å; E283-D285 PolarHBondContact O-N 2.88Å; E283-R286 WeakPolarHBondContact O-CB 3.31Å; E283-R286 PolarHBondContact O-N 3.37Å; E283-R286 VanDerWaalsContact OE2-CD 3.31Å; E283-R286 WeakPolarHBondContact OE2-CD 3.29Å; E283-L287 HydrophobicContact CG-CD1 4.22Å; E283-L287 WeakPolarHBondContact O-CB 3.38Å; E283-L287 VanDerWaalsContact O-CG 3.31Å; E283-L287 WeakPolarHBondContact O-CG 3.43Å; E283-L287 PolarHBondContact O-N 3.28Å
284I93.8Very high92.9Very high66 Ų6699.7 Ų99.734%0.33848%0.477SS..Hα-helixtrans-58.4-47.1172.8-69.8169.3000110.5Q280 N281 R286 L287 M288Q280-I284 HydrophobicContact CG-CD1 3.85Å; Q280-I284 HydrophobicContact CG-CG1 4.49Å; Q280-I284 WeakPolarHBondContact O-CG1 3.5Å; Q280-I284 PolarHBondContact O-N 3.16Å; N281-I284 PolarHBondContact O-N 3.06Å; I284-R286 VanDerWaalsContact C-N 3.35Å; I284-R286 PolarHBondContact O-N 3.03Å; I284-L287 PolarHBondContact O-N 3.16Å; I284-M288 HydrophobicContact CG2-CE 3.81Å; I284-M288 HydrophobicContact CG2-CG 4.34Å; I284-M288 WeakPolarHBondContact O-CB 3.32Å; I284-M288 WeakPolarHBondContact O-CG 3.35Å; I284-M288 PolarHBondContact O-N 2.89Å
285D95.1Very high92.1Very high88 Ų88103 Ų10347%0.47149%0.49SS..Hα-helixtrans-61.2-41.1176.9-89.8-15.7000112.6N281 E283 M288 K289N281-D285 WeakPolarHBondContact O-CB 3.43Å; N281-D285 PolarHBondContact O-N 3.41Å; E283-D285 PolarHBondContact O-N 2.88Å; D285-M288 PolarHBondContact O-N 3.45Å; D285-K289 WeakPolarHBondContact O-CB 3.23Å; D285-K289 VanDerWaalsContact O-CG 3.26Å; D285-K289 WeakPolarHBondContact O-CG 3.32Å; D285-K289 PolarHBondContact O-N 2.98Å
286R94.9Very high91.1Very high146 Ų146108 Ų10855%0.55151%0.51SS*.Hα-helixtrans-60.2-50.2174.6178.9-167.6167.688.26.3110.6R282 E283 I284 K289 M290R282-R286 WeakPolarHBondContact O-CB 3.39Å; R282-R286 PolarHBondContact O-N 3.47Å; R282-R286 VanDerWaalsContact O-N 3.08Å; E283-R286 WeakPolarHBondContact O-CB 3.31Å; E283-R286 PolarHBondContact O-N 3.37Å; E283-R286 VanDerWaalsContact OE2-CD 3.31Å; E283-R286 WeakPolarHBondContact OE2-CD 3.29Å; I284-R286 VanDerWaalsContact C-N 3.35Å; I284-R286 PolarHBondContact O-N 3.03Å; R286-K289 PolarHBondContact O-N 3.17Å; R286-M290 WeakPolarHBondContact O-CG 3.5Å; R286-M290 PolarHBondContact O-N 3Å
287L93.3Very high89.4Confident82 Ų82107 Ų10743%0.42951%0.511SS..Hα-helixtrans-63.9-41.5178.7-68.4171.5000111.8E283 I284 K289 M290 Q291E283-L287 HydrophobicContact CG-CD1 4.22Å; E283-L287 WeakPolarHBondContact O-CB 3.38Å; E283-L287 VanDerWaalsContact O-CG 3.31Å; E283-L287 WeakPolarHBondContact O-CG 3.43Å; E283-L287 PolarHBondContact O-N 3.28Å; I284-L287 PolarHBondContact O-N 3.16Å; L287-K289 PolarHBondContact O-N 3.04Å; L287-M290 PolarHBondContact O-N 3.41Å; L287-Q291 WeakPolarHBondContact O-CG 3.36Å; L287-Q291 PolarHBondContact O-N 3.41Å
288M91.9Very high87.5Confident92 Ų92111.9 Ų111.945%0.45353%0.533SS..Hα-helixtrans-63.6-38175.4-75.5-158.3-171.900112.6I284 D285 K292I284-M288 HydrophobicContact CG2-CE 3.81Å; I284-M288 HydrophobicContact CG2-CG 4.34Å; I284-M288 WeakPolarHBondContact O-CB 3.32Å; I284-M288 WeakPolarHBondContact O-CG 3.35Å; I284-M288 PolarHBondContact O-N 2.89Å; D285-M288 PolarHBondContact O-N 3.45Å; M288-K292 WeakPolarHBondContact O-CB 3.38Å; M288-K292 WeakPolarHBondContact O-CD 3.36Å; M288-K292 WeakPolarHBondContact O-CG 3.49Å; M288-K292 PolarHBondContact O-N 3.41Å
289K92.2Very high85.4Confident126 Ų126112.9 Ų112.955%0.54855%0.549SS..Hα-helixtrans-64.2-49.9174.2-75.3166.2-176.3169.30111D285 R286 L287 Q291 K292 E293D285-K289 WeakPolarHBondContact O-CB 3.23Å; D285-K289 VanDerWaalsContact O-CG 3.26Å; D285-K289 WeakPolarHBondContact O-CG 3.32Å; D285-K289 PolarHBondContact O-N 2.98Å; R286-K289 PolarHBondContact O-N 3.17Å; L287-K289 PolarHBondContact O-N 3.04Å; K289-Q291 VanDerWaalsContact C-N 3.34Å; K289-Q291 PolarHBondContact O-N 3.02Å; K289-K292 WeakPolarHBondContact O-CB 2.97Å; K289-K292 PolarHBondContact O-N 3.48Å; K289-E293 PolarHBondContact O-N 3.1Å
290M89.5Confident83.3Confident101 Ų101114.9 Ų114.950%0.49856%0.557SS.*Hα-helixtrans-58.9-41.1176.9-69.9-178.266.200112.7R286 L287 K292 E293 L294R286-M290 WeakPolarHBondContact O-CG 3.5Å; R286-M290 PolarHBondContact O-N 3Å; L287-M290 PolarHBondContact O-N 3.41Å; M290-K292 PolarHBondContact O-N 2.89Å; M290-E293 PolarHBondContact O-N 3.18Å; M290-L294 WeakPolarHBondContact O-CB 3.3Å; M290-L294 PolarHBondContact O-N 2.91Å
291Q89.5Confident81.2Confident108 Ų108116.4 Ų116.451%0.50557%0.574SS.*Hα-helixtrans-65.7-35.2174.7-72.7-177.725.200113.1L287 K289 K295L287-Q291 WeakPolarHBondContact O-CG 3.36Å; L287-Q291 PolarHBondContact O-N 3.41Å; K289-Q291 VanDerWaalsContact C-N 3.34Å; K289-Q291 PolarHBondContact O-N 3.02Å; Q291-K295 WeakPolarHBondContact O-CB 3.35Å; Q291-K295 WeakPolarHBondContact O-CD 3.28Å; Q291-K295 VanDerWaalsContact O-CG 3.24Å; Q291-K295 WeakPolarHBondContact O-CG 3.43Å; Q291-K295 PolarHBondContact O-N 2.92Å
292K90.2Very high78.5Confident123 Ų123118 Ų11854%0.53559%0.587SS.*Hα-helixtrans-72-30.6176.3-74.5165.8-175.31720112M288 K289 M290 K296M288-K292 WeakPolarHBondContact O-CB 3.38Å; M288-K292 WeakPolarHBondContact O-CD 3.36Å; M288-K292 WeakPolarHBondContact O-CG 3.49Å; M288-K292 PolarHBondContact O-N 3.41Å; K289-K292 WeakPolarHBondContact O-CB 2.97Å; K289-K292 PolarHBondContact O-N 3.48Å; M290-K292 PolarHBondContact O-N 2.89Å; K292-K296 WeakPolarHBondContact O-CD 3.39Å; K292-K296 VanDerWaalsContact O-CG 3.26Å; K292-K296 WeakPolarHBondContact O-CG 3.34Å
293E86Confident76.2Confident129 Ų129117.6 Ų117.660%0.60360%0.597SS**Hα-helixtrans-73.4-49.6174.4-73.8168.4-171.200111.3K289 M290 K295 K296 S297K289-E293 PolarHBondContact O-N 3.1Å; M290-E293 PolarHBondContact O-N 3.18Å; E293-K295 VanDerWaalsContact C-N 3.26Å; E293-K295 PolarHBondContact O-N 2.91Å; E293-K296 PolarHBondContact O-N 2.68Å; E293-S297 PolarHBondContact O-N 3.26Å; E293-S297 VanDerWaalsContact O-N 3.11Å; E293-S297 PolarHBondContact O-OG 3.41Å
294L80.6Confident73.6Confident122 Ų122118 Ų11864%0.63962%0.616SS**Hα-helixtrans-57.3-38.5178.2-173.963.2000112.5M290 K296 S297M290-L294 WeakPolarHBondContact O-CB 3.3Å; M290-L294 PolarHBondContact O-N 2.91Å; L294-K296 VanDerWaalsContact C-N 3.29Å; L294-K296 PolarHBondContact O-N 3.45Å; L294-S297 WeakPolarHBondContact CA-OG 3.38Å; L294-S297 PolarHBondContact O-N 2.88Å; L294-S297 PolarHBondContact O-OG 3.45Å
295K80.3Confident71.6Confident160 Ų160122.1 Ų122.170%0.69664%0.638SS**THydrogen-bonded Turntrans-72.5-14.9175.9-72.1171.1-177.41720114.5Q291 E293Q291-K295 WeakPolarHBondContact O-CB 3.35Å; Q291-K295 WeakPolarHBondContact O-CD 3.28Å; Q291-K295 VanDerWaalsContact O-CG 3.24Å; Q291-K295 WeakPolarHBondContact O-CG 3.43Å; Q291-K295 PolarHBondContact O-N 2.92Å; E293-K295 VanDerWaalsContact C-N 3.26Å; E293-K295 PolarHBondContact O-N 2.91Å
296K73.7Confident69.2Low168 Ų168125.1 Ų125.173%0.7365%0.654SS**THydrogen-bonded Turntrans-96.3-19.5176.3-74.1172.9-177.9-179.60112.5K292 E293 L294 D298K292-K296 WeakPolarHBondContact O-CD 3.39Å; K292-K296 VanDerWaalsContact O-CG 3.26Å; K292-K296 WeakPolarHBondContact O-CG 3.34Å; E293-K296 PolarHBondContact O-N 2.68Å; L294-K296 VanDerWaalsContact C-N 3.29Å; L294-K296 PolarHBondContact O-N 3.45Å; K296-D298 VanDerWaalsContact C-N 3.29Å; K296-D298 PolarHBondContact O-N 3.49Å
297S61Low66.8Low76 Ų76122.2 Ų122.253%0.53166%0.656SS.*SBendtrans-83.99.1178.452.60000115.2E293 L294 P299E293-S297 PolarHBondContact O-N 3.26Å; E293-S297 VanDerWaalsContact O-N 3.11Å; E293-S297 PolarHBondContact O-OG 3.41Å; L294-S297 WeakPolarHBondContact CA-OG 3.38Å; L294-S297 PolarHBondContact O-N 2.88Å; L294-S297 PolarHBondContact O-OG 3.45Å; S297-P299 WeakPolarHBondContact O-CD 3.38Å
298D54.5Low64.5Low137 Ų137124.8 Ų124.873%0.73368%0.676SS**  trans-102.763.8170.8-80.4-35.9000113.9K296 N300K296-D298 VanDerWaalsContact C-N 3.29Å; K296-D298 PolarHBondContact O-N 3.49Å; D298-N300 VanDerWaalsContact C-N 3.33Å; D298-N300 PolarHBondContact O-N 2.85Å
299P51.4Low62.2Low116 Ų116126.3 Ų126.375%0.75370%0.695SS**  trans-91.442.2173.139.7-37.6000112.8S297S297-P299 WeakPolarHBondContact O-CD 3.38Å
300N50.9Low60Low125 Ų125123.9 Ų123.967%0.66870%0.698SS**  trans-158.173.6173.2-161.714000116.5D298D298-N300 VanDerWaalsContact C-N 3.33Å; D298-N300 PolarHBondContact O-N 2.85Å
301T50.6Low58Low142 Ų142126.5 Ų126.587%0.87172%0.715SS**  trans-146.464.8147.9-60.20000109.7
302T40.3Very low56Low125 Ų125126 Ų12677%0.76773%0.728SS**  trans-12186.716150.30000108
303N45.7Very low54.1Low148 Ų148125.5 Ų125.579%0.79174%0.738SS**  trans-141.6127.2164.4-103.2-27.7000110.1
304A41Very low52.3Low99 Ų99129.4 Ų129.482%0.81875%0.753SS**  trans-101.6115.8-173.700000109.8
305N50.6Low50.8Low152 Ų152131.2 Ų131.281%0.81376%0.763SS**  trans-127.5111.4176-6983.5000109.4
306N45.6Very low49.3Very low150 Ų150128.8 Ų128.880%0.80276%0.764SS**  trans-90.9153.5-164.3-1575.6000111.8
307S44.6Very low48.1Very low85 Ų85128.7 Ų128.759%0.59477%0.77SS**  trans55.7127.5145.462.10000122.4
308T44.2Very low47.4Very low137 Ų137130.9 Ų130.984%0.8478%0.78SS**  trans61.7113142.643.60000121.2
309S43.8Very low46.9Very low124 Ų124129.9 Ų129.987%0.86778%0.784SS**  -161.2145.7105-1680000111.4
310A46Very low46.5Very low74 Ų74130 Ų13061%0.61278%0.783SS**  trans-94.8147.117900000111.7
311N47.1Very low46.3Very low157 Ų157131.4 Ų131.484%0.8479%0.79SS**  177.5112.6116.4-92.4-26.5000114.6
312A48.4Very low46.1Very low96 Ų96133.9 Ų133.979%0.79379%0.789SS**  trans64.3150.7131.500000122.2
313P48.9Very low46.4Very low113 Ų113134.2 Ų134.273%0.73479%0.793SS**  trans-123.8168.7-150.741.3-27.1000115.3
314K49.3Very low45.9Very low211 Ų211132.1 Ų132.192%0.91779%0.79SS**  trans-139.4149.4155.7-70-167.4179.2176.50111.6
315N49.2Very low46Very low160 Ų160132.3 Ų132.386%0.85679%0.791SS**  trans-98.7174.1-156.1-107.69.8000114.6
316P48.1Very low45.5Very low110 Ų110131.3 Ų131.371%0.71479%0.791SS**  trans-98.5165.6-15438.9-38000115.5
317I47.9Very low45.4Very low166 Ų166129.8 Ų129.885%0.85179%0.792SS**  trans-133.1141.2160.5-66.8-176.3000110
318T47.6Very low45Very low121 Ų121129.6 Ų129.674%0.74280%0.803SS**  trans-72.2148.2179.150.80000113.7
319S44.5Very low44.5Very low117 Ų117127.1 Ų127.182%0.81881%0.805SS**  179.9154.8118.8-90.20000112.7
320T43Very low44.5Very low119 Ų119127 Ų12773%0.7380%0.804SS**  trans-60.1148.1176.548.10000113.5
321D45.2Very low44.5Very low154 Ų154129.9 Ų129.982%0.82481%0.814SS**  -174.1146.8107-86.1-16.1000112.7
322K46.8Very low44.6Very low194 Ų194127.9 Ų127.984%0.84381%0.813SS**  trans-86.2158.6171.8-101.7-174.7176.9-177.80109.8
323P46Very low44.6Very low131 Ų131129.6 Ų129.685%0.85181%0.813SS**  -129.8157.5113.435.3-28.9000114.1
324S36.3Very low44.6Very low105 Ų105126.7 Ų126.773%0.73480%0.804SS**  trans-89.4140.3177-174.10000110.8
325A42.5Very low44.4Very low102 Ų102127.7 Ų127.784%0.84380%0.803SS**  trans-138.1118.4165.800000110.3
326T39.9Very low44.6Very low131 Ų131126.9 Ų126.980%0.80480%0.798SS**  trans-84.5140.9-175.7-55.30000111.6
327S43.9Very low45Very low119 Ų119128.5 Ų128.583%0.83280%0.796SS**  trans168.9156.3137.746.60000113.6
328G36.8Very low45.4Very low80 Ų80125.7 Ų125.783%0.82579%0.789SS**  trans93.399.7155.300000116.3
329G32.5Very low45.7Very low85 Ų85128.8 Ų128.888%0.87679%0.791SS**  trans-80.3157.1169.600000112.7
330S44.3Very low46.7Very low122 Ų122131.4 Ų131.485%0.85379%0.788SS**  trans-148.1129.7162.2-170.70000109.7
331V46.7Very low47.9Very low134 Ų134130.2 Ų130.281%0.81278%0.783SS**  trans-80.5117.8-179.2-76.80000110
332S49.5Very low49.1Very low116 Ų116125.5 Ų125.581%0.81176%0.761SS**  trans-107.682.9174-172.10000109.7G334S332-G334 PolarHBondContact O-N 2.79Å
333T47.9Very low50Low132 Ų132125.7 Ų125.781%0.8176%0.762SS**  trans-88.754.4171.557.40000110.5
334G48.4Very low51.2Low52 Ų52130.9 Ų130.954%0.53677%0.765SS.*  trans-84.1111.2166.200000109.4S332 I336S332-G334 PolarHBondContact O-N 2.79Å; G334-I336 PolarHBondContact O-N 3.34Å
335Y44.9Very low52.5Low231 Ų231131.6 Ų131.691%0.90676%0.761SS**  trans-65.681.1163.4-96.2-90.6000109
336I54.2Low53.5Low144 Ų144130.3 Ų130.374%0.73874%0.743SS**  trans-90.3104.5163.3-60.5179000105.4G334 P338G334-I336 PolarHBondContact O-N 3.34Å; I336-P338 VanDerWaalsContact O-CD 3.26Å; I336-P338 WeakPolarHBondContact O-CD 3.21Å
337E56.2Low54.1Low143 Ų143127.1 Ų127.167%0.66874%0.736SS**  trans-39.8112.3169.6-175.2-173.6-119.500110.1K339E337-K339 PolarHBondContact O-N 2.81Å; E337-K339 IonicContact OE2-NZ 3.96Å
338P55.5Low54.5Low108 Ų108129.6 Ų129.670%0.70174%0.738SS**  trans-66106.1-175.1-23.434.7000110.3I336 K340I336-P338 VanDerWaalsContact O-CD 3.26Å; I336-P338 WeakPolarHBondContact O-CD 3.21Å; P338-K340 PolarHBondContact O-N 2.74Å
339K55.9Low55.7Low185 Ų185131 Ų13180%0.80473%0.732SS**SBendtrans-65.525.5173.7-69.3-85.1178.6-168.70113.8E337E337-K339 PolarHBondContact O-N 2.81Å; E337-K339 IonicContact OE2-NZ 3.96Å
340K64.9Low56.5Low173 Ų173132.6 Ų132.675%0.75273%0.73SS**SBendtrans-150.1105.5178.1-57.9175.1-170.4168.30105.2P338P338-K340 PolarHBondContact O-N 2.74Å
341P68.1Low56.9Low94 Ų94134.4 Ų134.461%0.6173%0.73SS**  trans-58.9142.1-179.724.5-33.5000110.1D345P341-D345 HydrophobicContact CB-CB 4.29Å
342S71.2Confident56.9Low54 Ų54133.9 Ų133.938%0.37873%0.727SS.*  trans-62.9158.2175.4-170.30000110W344 D345 T346S342-W344 PolarHBondContact O-N 3.35Å; S342-D345 WeakPolarHBondContact CA-OD2 3.29Å; S342-D345 WeakPolarHBondContact CB-OD2 3.4Å; S342-D345 PolarHBondContact N-OD2 3.26Å; S342-D345 PolarHBondContact O-N 3.2Å; S342-T346 PolarHBondContact O-N 2.92Å; S342-T346 PolarHBondContact O-OG1 3.35Å; S342-T346 VanDerWaalsContact O-OG1 3.13Å
343K63.9Low56.8Low199 Ų199137.1 Ų137.187%0.86573%0.729SS**THydrogen-bonded Turntrans-62.5-12174.8-148.6179.5-179.1-173.20112.8
344W71.8Confident56.7Low240 Ų240134.9 Ų134.991%0.90972%0.717SS**THydrogen-bonded Turntrans-100.8-18.8174.8-59.794.6000113.7S342S342-W344 PolarHBondContact O-N 3.35Å
345D64.7Low56.4Low120 Ų120141.7 Ų141.764%0.64273%0.734SS**THydrogen-bonded Turntrans-88.7-15.4178.7-57.3-37.4000112.5P341 S342 G347P341-D345 HydrophobicContact CB-CB 4.29Å; S342-D345 WeakPolarHBondContact CA-OD2 3.29Å; S342-D345 WeakPolarHBondContact CB-OD2 3.4Å; S342-D345 PolarHBondContact N-OD2 3.26Å; S342-D345 PolarHBondContact O-N 3.2Å; D345-G347 PolarHBondContact O-N 3.31Å
346T63Low56.2Low75 Ų75137.3 Ų137.346%0.4673%0.727SS.*SBendtrans-84.994.3-177.4-45.60000109.7S342S342-T346 PolarHBondContact O-N 2.92Å; S342-T346 PolarHBondContact O-OG1 3.35Å; S342-T346 VanDerWaalsContact O-OG1 3.13Å
347G52.2Low55.7Low64 Ų64137 Ų13766%0.6673%0.732SS**  trans-51.2146.1170.700000112.2D345 P349D345-G347 PolarHBondContact O-N 3.31Å; G347-P349 VanDerWaalsContact O-CD 3.26Å; G347-P349 WeakPolarHBondContact O-CD 3.36Å
348I52.7Low54.9Low171 Ų171134.9 Ų134.988%0.87773%0.732SS**  trans-47.1109.1-166.7-57.5167.1000111.7S350I348-S350 PolarHBondContact O-N 2.69Å
349P60.6Low54.5Low109 Ų109135.2 Ų135.271%0.70874%0.737SS**  trans-77.6113.9179.429.3-32000110.3G347G347-P349 VanDerWaalsContact O-CD 3.26Å; G347-P349 WeakPolarHBondContact O-CD 3.36Å
350S50.4Low54Low118 Ų118134.6 Ų134.683%0.82574%0.737SS**  trans-71.6122.716949.20000110.7I348I348-S350 PolarHBondContact O-N 2.69Å
351N51.9Low53.1Low161 Ų161130.9 Ų130.986%0.86173%0.733SS**  165.8148.2124-160.96.5000110.6
352V47.3Very low52.3Low123 Ų123133 Ų13375%0.74574%0.744SS**  trans-120.7134.8-174.81710000108.9
353Q48.2Very low51.4Low184 Ų184138.9 Ų138.986%0.8676%0.763SS**  trans-179162.3131.8-95.4-144.8-83.600113.2
354P44.3Very low50.7Low84 Ų84137 Ų13755%0.54576%0.762SS.*  trans-117.3171.2-153.642.9-33.6000115.2
355H42.7Very low49.8Very low196 Ų196130.6 Ų130.691%0.90775%0.754SS**  trans-140.1149164.2-65.5-63.4000112.2
356D40.4Very low48.8Very low139 Ų139131.2 Ų131.274%0.74376%0.761SS**  trans-110.6168.9-157.8-84-57.3000115.8
357T43.2Very low48.8Very low137 Ų137133.1 Ų133.184%0.8478%0.775SS**  trans66.8151.2158.155.60000120
358S40.5Very low49Very low98 Ų98135.1 Ų135.169%0.68578%0.776SS**  cis-175.5160.7-24.155.40000110.8
359S47.4Very low48.9Very low115 Ų115134.7 Ų134.780%0.80477%0.774SS**  trans72.4150.7169.181.90000117.1
360E44.5Very low48.3Very low172 Ų172132.6 Ų132.680%0.80477%0.772SS**  cis-152.6140.30.3-160.8178.4148.100113.4
361S47Very low48.4Very low96 Ų96134 Ų13467%0.67177%0.77SS**  trans32.3156.5150.3-54.70000127
362V50.4Low48.4Very low139 Ų139133.4 Ų133.484%0.84277%0.767SS**  trans90.8131.9155.5-173.20000117
363K51.8Low48.9Very low176 Ų176134.4 Ų134.477%0.76577%0.766SS**  cis-176.4163.6-23.6-149.7170.9-170.5171.60108.3
364L48.9Very low49.3Very low160 Ų160135.6 Ų135.684%0.83877%0.768SS**  trans73.1145.8164.5-54.3163.9000115.9
365S53.6Low50.4Low106 Ų106142 Ų14274%0.74178%0.782SS**  cis-154.8146.2-6.6-174.10000109.6
366V43.9Very low51.4Low132 Ų132144 Ų14480%0.880%0.799SS**  trans-131.6122.7170.6178.60000109.4
367P63.3Low51.9Low115 Ų115144.2 Ų144.275%0.74780%0.802SS**  trans-80.7141.1173.131.8-32.5000111.9
368P55.6Low52.4Low106 Ų106144.6 Ų144.669%0.68880%0.8SS**  trans-105.1-174.4-176.440.3-35.7000114.3
369I50.8Low53.1Low163 Ų163147.2 Ų147.284%0.83681%0.806SS**  trans79.9134.6170.6-49.6146.4000112.5
370G47.8Very low53.4Low65 Ų65149.1 Ų149.167%0.6781%0.806SS**  cis164.9172.94.500000106.5
371N53.6Low54Low146 Ų146147.6 Ų147.678%0.78181%0.806SS**  cis-154.6161.2-2.7-100-15.8000109
372L50.9Low54.4Low150 Ų150151.1 Ų151.179%0.78582%0.815SS**  trans2.9135.7156.2-76.859.8000119.4
373I58.3Low54.7Low144 Ų144151.9 Ų151.974%0.73881%0.814SS**  -160.7130.2101.9-101.4156.2000111.4
374K56.1Low54.9Low208 Ų208150.1 Ų150.190%0.90482%0.817SS**  trans-122.3127.8164.9-157.5178.5-173.6-175.30105.1
375R67.2Low55.4Low218 Ų218149.3 Ų149.382%0.82382%0.816SS**  trans-92.4152.9171.8-77.2-172.4171.5101.1-1.6109.5
376N64.3Low55.6Low238 Ų238153.2 Ų153.2100%1.27382%0.822SS**  trans-53.90-175.1-64.5-14.7000113.4

Retrieved 376 of 376 residues in 231.8 ms (Link to these results)